CID 24833994

96437-82-0

Structural Information

Molecular Formula
C22H27N4O2
SMILES
C[N+]1(CCCCCC1)CCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C22H26N4O2/c1-26(14-6-2-3-7-15-26)16-12-20(27)25-19-11-5-4-9-17(19)22(28)24-18-10-8-13-23-21(18)25/h4-5,8-11,13H,2-3,6-7,12,14-16H2,1H3/p+1
InChIKey
CVGOYFQILTXXDE-UHFFFAOYSA-O
Compound name
11-[3-(1-methylazepan-1-ium-1-yl)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.2134 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22068 194.7
[M+Na]+ 402.20262 202.8
[M+NH4]+ 397.24722 200.1
[M+K]+ 418.17656 197.9
[M-H]- 378.20612 196.7
[M+Na-2H]- 400.18807 198.5
[M]+ 379.21285 196.7
[M]- 379.21395 196.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.