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

6
Patents

365.18518 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.192456 192.5
[M+Na]+ 388.174398 199.2
[M-H]- 364.177904 193.8
[M+NH4]+ 383.219003 198.9
[M+K]+ 404.148338 196.2
[M+H-H2O]+ 348.182440 179.8
[M+HCOO]- 410.183381 200.1
[M+CH3COO]- 424.199031 198.8
[M+Na-2H]- 386.159846 193.8
[M]+ 365.18463142 186.1
[M]- 365.18572858 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