CID 3053215

69628-22-4

Structural Information

Molecular Formula
C23H29N5O2
SMILES
CC(C)(C)CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C23H29N5O2/c1-23(2,3)16-27-13-11-26(12-14-27)15-20(29)28-19-9-5-4-7-17(19)22(30)25-18-8-6-10-24-21(18)28/h4-10H,11-16H2,1-3H3,(H,25,30)
InChIKey
CACHESWDTFLQKE-UHFFFAOYSA-N
Compound name
11-[2-[4-(2,2-dimethylpropyl)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

407.23212 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.23940 205.2
[M+Na]+ 430.22134 210.2
[M-H]- 406.22484 206.0
[M+NH4]+ 425.26594 209.9
[M+K]+ 446.19528 207.2
[M+H-H2O]+ 390.22938 192.5
[M+HCOO]- 452.23032 210.3
[M+CH3COO]- 466.24597 210.1
[M+Na-2H]- 428.20679 206.8
[M]+ 407.23157 198.8
[M]- 407.23267 198.8
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