CID 3053219

69628-30-4

Structural Information

Molecular Formula
C20H23N5O2
SMILES
CC1CN(CCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)C
InChI
InChI=1S/C20H23N5O2/c1-14-12-23(2)10-11-24(14)13-18(26)25-17-8-4-3-6-15(17)20(27)22-16-7-5-9-21-19(16)25/h3-9,14H,10-13H2,1-2H3,(H,22,27)
InChIKey
VIFSMPZXSDYBTI-UHFFFAOYSA-N
Compound name
11-[2-(2,4-dimethylpiperazin-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

365.18518 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19246 191.1
[M+Na]+ 388.17440 202.4
[M+NH4]+ 383.21900 195.8
[M+K]+ 404.14834 197.1
[M-H]- 364.17790 192.0
[M+Na-2H]- 386.15985 194.2
[M]+ 365.18463 192.8
[M]- 365.18573 192.8
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