PubChemLite - Unii-p3lky4zl5o (C24H36F3N3O2)

Structural Information

Molecular Formula

SMILES

CC(C)[C@@]1(CC[C@H](C1)N[C@H]2CCOC[C@H]2OC)CN3CCC4=C(C3)C=C(C=N4)C(F)(F)F

InChI

InChI=1S/C24H36F3N3O2/c1-16(2)23(7-4-19(11-23)29-21-6-9-32-14-22(21)31-3)15-30-8-5-20-17(13-30)10-18(12-28-20)24(25,26)27/h10,12,16,19,21-22,29H,4-9,11,13-15H2,1-3H3/t19-,21+,22-,23-/m1/s1

InChIKey

UNVWTBOGMHPKJM-CWKRKGSWSA-N

Compound name

(3S,4S)-3-methoxy-N-[(1R,3S)-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]cyclopentyl]oxan-4-amine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	456.28325	212.8
[M+Na]+	478.26519	214.6
[M-H]-	454.26869	215.0
[M+NH4]+	473.30979	221.2
[M+K]+	494.23913	210.4
[M+H-H2O]+	438.27323	200.1
[M+HCOO]-	500.27417	217.4
[M+CH3COO]-	514.28982	235.0
[M+Na-2H]-	476.25064	208.6
[M]+	455.27542	203.5
[M]-	455.27652	203.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

456.28325

212.8

[M+Na]+

478.26519

214.6

[M-H]-

454.26869

215.0

[M+NH4]+

473.30979

221.2

[M+K]+

494.23913

210.4

[M+H-H2O]+

438.27323

200.1

[M+HCOO]-

500.27417

217.4

[M+CH3COO]-

514.28982

235.0

[M+Na-2H]-

476.25064

208.6

[M]+

455.27542

203.5

[M]-

455.27652

203.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Unii-p3lky4zl5o

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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