CID 384147

Nsc673434

Structural Information

Molecular Formula
C25H21NO3
SMILES
C1C(C(=O)C2=CC=CC=C2NC1=O)C(CC(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21NO3/c27-23(18-11-5-2-6-12-18)15-20(17-9-3-1-4-10-17)21-16-24(28)26-22-14-8-7-13-19(22)25(21)29/h1-14,20-21H,15-16H2,(H,26,28)
InChIKey
VWBKGSBRCKPOCA-UHFFFAOYSA-N
Compound name
4-(3-oxo-1,3-diphenylpropyl)-3,4-dihydro-1H-1-benzazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.15213 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15941 192.8
[M+Na]+ 406.14135 196.5
[M-H]- 382.14485 200.7
[M+NH4]+ 401.18595 201.7
[M+K]+ 422.11529 194.8
[M+H-H2O]+ 366.14939 184.3
[M+HCOO]- 428.15033 207.5
[M+CH3COO]- 442.16598 200.5
[M+Na-2H]- 404.12680 193.4
[M]+ 383.15158 186.7
[M]- 383.15268 186.7
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.