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 200.7
[M+Na]+ 428.20568 210.9
[M+NH4]+ 423.25028 204.6
[M+K]+ 444.17962 205.5
[M-H]- 404.20918 201.1
[M+Na-2H]- 426.19113 203.1
[M]+ 405.21591 202.0
[M]- 405.21701 202.0
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