CID 5279399

N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1h-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide

Structural Information

Molecular Formula
C28H30N4O3
SMILES
COC1=CC=CC(=C1)C2(C3=CC=CC=C3NC(=O)C(N2)NC(=O)N4CCCCC4)C5=CC=CC=C5
InChI
InChI=1S/C28H30N4O3/c1-35-22-14-10-13-21(19-22)28(20-11-4-2-5-12-20)23-15-6-7-16-24(23)29-26(33)25(31-28)30-27(34)32-17-8-3-9-18-32/h2,4-7,10-16,19,25,31H,3,8-9,17-18H2,1H3,(H,29,33)(H,30,34)
InChIKey
LAKHKVQATSLWDI-UHFFFAOYSA-N
Compound name
N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

470.23178 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.23906 220.0
[M+Na]+ 493.22100 221.9
[M-H]- 469.22450 226.2
[M+NH4]+ 488.26560 223.4
[M+K]+ 509.19494 218.8
[M+H-H2O]+ 453.22904 206.4
[M+HCOO]- 515.22998 228.4
[M+CH3COO]- 529.24563 223.6
[M+Na-2H]- 491.20645 220.0
[M]+ 470.23123 208.8
[M]- 470.23233 208.8
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.