CID 20256754

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

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CC(C(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3)N4CCCCC4
InChI
InChI=1S/C20H22N4O2/c1-14(23-12-5-2-6-13-23)20(26)24-17-10-4-3-8-15(17)19(25)22-16-9-7-11-21-18(16)24/h3-4,7-11,14H,2,5-6,12-13H2,1H3,(H,22,25)
InChIKey
SEAHFKCVELUKRM-UHFFFAOYSA-N
Compound name
11-(2-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

2
Patents

350.1743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 184.2
[M+Na]+ 373.16352 188.8
[M-H]- 349.16702 186.2
[M+NH4]+ 368.20812 191.9
[M+K]+ 389.13746 186.5
[M+H-H2O]+ 333.17156 172.8
[M+HCOO]- 395.17250 192.3
[M+CH3COO]- 409.18815 190.7
[M+Na-2H]- 371.14897 186.3
[M]+ 350.17375 176.1
[M]- 350.17485 176.1
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