CID 11496191

Chembl205371

Structural Information

Molecular Formula
C27H26N4O3
SMILES
C1COCCN1CC2=CC=CC=C2C(=O)NC3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5
InChI
InChI=1S/C27H26N4O3/c32-26(21-11-5-4-10-20(21)18-31-14-16-34-17-15-31)30-25-27(33)28-23-13-7-6-12-22(23)24(29-25)19-8-2-1-3-9-19/h1-13,25H,14-18H2,(H,28,33)(H,30,32)
InChIKey
NBCFKFUKUXVZQS-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

454.2005 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.20778 214.3
[M+Na]+ 477.18972 217.0
[M-H]- 453.19322 222.5
[M+NH4]+ 472.23432 215.8
[M+K]+ 493.16366 215.3
[M+H-H2O]+ 437.19776 200.8
[M+HCOO]- 499.19870 224.8
[M+CH3COO]- 513.21435 219.1
[M+Na-2H]- 475.17517 215.3
[M]+ 454.19995 206.0
[M]- 454.20105 206.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.