CID 5279114

2-oxo-5-phenyl-n-(piperidine-1-carbonyl)-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

Structural Information

Molecular Formula
C22H22N4O3
SMILES
C1CCN(CC1)C(=O)NC(=O)C2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C22H22N4O3/c27-20-19(21(28)25-22(29)26-13-7-2-8-14-26)24-18(15-9-3-1-4-10-15)16-11-5-6-12-17(16)23-20/h1,3-6,9-12,19H,2,7-8,13-14H2,(H,23,27)(H,25,28,29)
InChIKey
PJVJIXLZCGMYQT-UHFFFAOYSA-N
Compound name
2-oxo-5-phenyl-N-(piperidine-1-carbonyl)-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1692 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17648 194.5
[M+Na]+ 413.15842 197.2
[M-H]- 389.16192 199.7
[M+NH4]+ 408.20302 200.2
[M+K]+ 429.13236 196.1
[M+H-H2O]+ 373.16646 182.8
[M+HCOO]- 435.16740 205.9
[M+CH3COO]- 449.18305 200.5
[M+Na-2H]- 411.14387 195.6
[M]+ 390.16865 185.1
[M]- 390.16975 185.1
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

No patent data available for this compound.