PubChemLite - 1346603-86-8 (C24H27FN4O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)N2CCCCC2=N1)CCOC(=O)N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C24H27FN4O4/c1-15-18(23(30)29-10-3-2-4-21(29)26-15)9-13-32-24(31)28-11-7-16(8-12-28)22-19-6-5-17(25)14-20(19)33-27-22/h5-6,14,16H,2-4,7-13H2,1H3

InChIKey

XDVWOEVAHOSPOO-UHFFFAOYSA-N

Compound name

2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl 4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxylate

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]+	455.20891	211.5
[M+Na]+	477.19085	218.4
[M-H]-	453.19435	216.4
[M+NH4]+	472.23545	216.4
[M+K]+	493.16479	212.7
[M+H-H2O]+	437.19889	197.7
[M+HCOO]-	499.19983	220.2
[M+CH3COO]-	513.21548	217.8
[M+Na-2H]-	475.17630	209.0
[M]+	454.20108	210.8
[M]-	454.20218	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.20891

211.5

[M+Na]+

477.19085

218.4

[M-H]-

453.19435

216.4

[M+NH4]+

472.23545

216.4

[M+K]+

493.16479

212.7

[M+H-H2O]+

437.19889

197.7

[M+HCOO]-

499.19983

220.2

[M+CH3COO]-

513.21548

217.8

[M+Na-2H]-

475.17630

209.0

[M]+

454.20108

210.8

[M]-

454.20218

210.8

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

1346603-86-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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