CID 135432558

70656-87-0

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=NCC(=O)NC2=CC=CC=C12
InChI
InChI=1S/C10H10N2O/c1-7-8-4-2-3-5-9(8)12-10(13)6-11-7/h2-5H,6H2,1H3,(H,12,13)
InChIKey
DIDPQMKDRMWTTD-UHFFFAOYSA-N
Compound name
5-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

30
Patents

174.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 133.0
[M+Na]+ 197.068538 140.8
[M-H]- 173.072044 135.1
[M+NH4]+ 192.113143 150.2
[M+K]+ 213.042478 141.3
[M+H-H2O]+ 157.076580 126.5
[M+HCOO]- 219.077521 151.6
[M+CH3COO]- 233.093171 145.4
[M+Na-2H]- 195.053986 140.8
[M]+ 174.07877142 128.4
[M]- 174.07986858 128.4
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

patents stripe