CID 5279185

Schembl641913

Structural Information

Molecular Formula
C24H18N4O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CC5=C4NC=C5
InChI
InChI=1S/C24H18N4O2/c29-23(18-11-6-9-16-13-14-25-20(16)18)28-22-24(30)26-19-12-5-4-10-17(19)21(27-22)15-7-2-1-3-8-15/h1-14,22,25H,(H,26,30)(H,28,29)
InChIKey
BSFMWKOZTORQSY-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

394.14297 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15025 197.2
[M+Na]+ 417.13219 204.8
[M-H]- 393.13569 204.5
[M+NH4]+ 412.17679 205.6
[M+K]+ 433.10613 200.4
[M+H-H2O]+ 377.14023 187.1
[M+HCOO]- 439.14117 213.1
[M+CH3COO]- 453.15682 205.1
[M+Na-2H]- 415.11764 200.7
[M]+ 394.14242 192.4
[M]- 394.14352 192.4
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