CID 3064877

105931-87-1

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CC1CC(=O)N(C2=CC=CC=C2N1C(=O)C)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c1-14-12-19(23)20(13-16-8-4-3-5-9-16)17-10-6-7-11-18(17)21(14)15(2)22/h3-11,14H,12-13H2,1-2H3
InChIKey
KGQYMZVRKCXZFR-UHFFFAOYSA-N
Compound name
5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 171.9
[M+Na]+ 331.14169 178.5
[M-H]- 307.14519 177.8
[M+NH4]+ 326.18629 184.4
[M+K]+ 347.11563 178.2
[M+H-H2O]+ 291.14973 163.3
[M+HCOO]- 353.15067 188.2
[M+CH3COO]- 367.16632 181.9
[M+Na-2H]- 329.12714 174.2
[M]+ 308.15192 168.9
[M]- 308.15302 168.9
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.