PubChemLite - E-3620 (C20H26ClN3O2)

Structural Information

Molecular Formula

SMILES

CC#C[C@H](C)OC1=CC(=C(C=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)Cl)N

InChI

InChI=1S/C20H26ClN3O2/c1-4-5-12(2)26-19-11-18(22)17(21)10-16(19)20(25)23-13-8-14-6-7-15(9-13)24(14)3/h10-15H,6-9,22H2,1-3H3,(H,23,25)/t12-,13?,14-,15+/m0/s1

InChIKey

RPFBSCLXMNVMRP-AVOUXACISA-N

Compound name

4-amino-5-chloro-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2S)-pent-3-yn-2-yl]oxybenzamide

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]+	376.17864	194.1
[M+Na]+	398.16058	202.2
[M-H]-	374.16408	195.4
[M+NH4]+	393.20518	206.7
[M+K]+	414.13452	193.2
[M+H-H2O]+	358.16862	181.4
[M+HCOO]-	420.16956	200.3
[M+CH3COO]-	434.18521	227.4
[M+Na-2H]-	396.14603	189.5
[M]+	375.17081	187.8
[M]-	375.17191	187.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

376.17864

194.1

[M+Na]+

398.16058

202.2

[M-H]-

374.16408

195.4

[M+NH4]+

393.20518

206.7

[M+K]+

414.13452

193.2

[M+H-H2O]+

358.16862

181.4

[M+HCOO]-

420.16956

200.3

[M+CH3COO]-

434.18521

227.4

[M+Na-2H]-

396.14603

189.5

[M]+

375.17081

187.8

[M]-

375.17191

187.8

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

E-3620

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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