CID 3053214

69628-21-3

Structural Information

Molecular Formula
C23H27N5O2
SMILES
CC(=CCN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)C
InChI
InChI=1S/C23H27N5O2/c1-17(2)9-11-26-12-14-27(15-13-26)16-21(29)28-20-8-4-3-6-18(20)23(30)25-19-7-5-10-24-22(19)28/h3-10H,11-16H2,1-2H3,(H,25,30)
InChIKey
OEYVMPCZYNAYKS-UHFFFAOYSA-N
Compound name
11-[2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

405.21646 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.22374 201.8
[M+Na]+ 428.20568 206.5
[M-H]- 404.20918 202.4
[M+NH4]+ 423.25028 206.4
[M+K]+ 444.17962 202.9
[M+H-H2O]+ 388.21372 188.8
[M+HCOO]- 450.21466 207.8
[M+CH3COO]- 464.23031 206.6
[M+Na-2H]- 426.19113 201.7
[M]+ 405.21591 194.8
[M]- 405.21701 194.8
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

patents stripe