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 192.5
[M+Na]+ 388.17440 199.2
[M-H]- 364.17790 193.8
[M+NH4]+ 383.21900 198.9
[M+K]+ 404.14834 196.2
[M+H-H2O]+ 348.18244 179.8
[M+HCOO]- 410.18338 200.1
[M+CH3COO]- 424.19903 198.8
[M+Na-2H]- 386.15985 193.8
[M]+ 365.18463 186.1
[M]- 365.18573 186.1
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