CID 3053102

6h-pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1-oxo-3-(1-piperidinyl)propyl)-

Structural Information

Molecular Formula
C20H22N4O2
SMILES
C1CCN(CC1)CCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C20H22N4O2/c25-18(10-14-23-12-4-1-5-13-23)24-17-9-3-2-7-15(17)20(26)22-16-8-6-11-21-19(16)24/h2-3,6-9,11H,1,4-5,10,12-14H2,(H,22,26)
InChIKey
KWEKGRDEZAIOFO-UHFFFAOYSA-N
Compound name
11-(3-piperidin-1-ylpropanoyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

350.1743 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 185.4
[M+Na]+ 373.16352 190.2
[M-H]- 349.16702 187.2
[M+NH4]+ 368.20812 193.1
[M+K]+ 389.13746 187.3
[M+H-H2O]+ 333.17156 173.6
[M+HCOO]- 395.17250 194.3
[M+CH3COO]- 409.18815 191.8
[M+Na-2H]- 371.14897 188.3
[M]+ 350.17375 177.7
[M]- 350.17485 177.7
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