CID 6448639

144400-95-3

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]+ 307.144116 172.1
[M+Na]+ 329.126058 177.8
[M-H]- 305.129564 176.4
[M+NH4]+ 324.170663 183.7
[M+K]+ 345.099998 176.1
[M+H-H2O]+ 289.134100 163.7
[M+HCOO]- 351.135041 187.2
[M+CH3COO]- 365.150691 181.2
[M+Na-2H]- 327.111506 174.6
[M]+ 306.13629142 166.3
[M]- 306.13738858 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.