CID 6448639

1,3,4,5-tetrahydro-5-(1-oxo-3-phenyl-2-propenyl)-2h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CC1CC(=O)NC2=CC=CC=C2N1C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2/c1-14-13-18(22)20-16-9-5-6-10-17(16)21(14)19(23)12-11-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,20,22)/b12-11+
InChIKey
PMCZQOFYTOBCHT-VAWYXSNFSA-N
Compound name
4-methyl-5-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13684 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 173.1
[M+Na]+ 329.12606 184.8
[M+NH4]+ 324.17066 179.2
[M+K]+ 345.10000 178.7
[M-H]- 305.12956 175.4
[M+Na-2H]- 327.11151 178.9
[M]+ 306.13629 175.3
[M]- 306.13739 175.3
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.