CID 708826

Brn 4526012

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC(=O)N1CCC(=O)N(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c1-14(21)19-12-11-18(22)20(13-15-7-3-2-4-8-15)17-10-6-5-9-16(17)19/h2-10H,11-13H2,1H3
InChIKey
DSNNWAXKLWHJRH-UHFFFAOYSA-N
Compound name
1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

294.13684 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 167.6
[M+Na]+ 317.12606 173.8
[M-H]- 293.12956 173.3
[M+NH4]+ 312.17066 180.4
[M+K]+ 333.10000 173.5
[M+H-H2O]+ 277.13410 159.0
[M+HCOO]- 339.13504 184.3
[M+CH3COO]- 353.15069 177.7
[M+Na-2H]- 315.11151 171.1
[M]+ 294.13629 164.0
[M]- 294.13739 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.