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 172.1
[M+Na]+ 329.12606 177.8
[M-H]- 305.12956 176.4
[M+NH4]+ 324.17066 183.7
[M+K]+ 345.10000 176.1
[M+H-H2O]+ 289.13410 163.7
[M+HCOO]- 351.13504 187.2
[M+CH3COO]- 365.15069 181.2
[M+Na-2H]- 327.11151 174.6
[M]+ 306.13629 166.3
[M]- 306.13739 166.3
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.