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]+ 309.159746 171.9
[M+Na]+ 331.141688 178.5
[M-H]- 307.145194 177.8
[M+NH4]+ 326.186293 184.4
[M+K]+ 347.115628 178.2
[M+H-H2O]+ 291.149730 163.3
[M+HCOO]- 353.150671 188.2
[M+CH3COO]- 367.166321 181.9
[M+Na-2H]- 329.127136 174.2
[M]+ 308.15192142 168.9
[M]- 308.15301858 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.