CID 80469

6276-48-8

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=NC2=CC=CC=C2NC(=O)C1
InChI
InChI=1S/C10H10N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5H,6H2,1H3,(H,12,13)
InChIKey
AFHSLLLKMSITIA-UHFFFAOYSA-N
Compound name
4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

174.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 133.0
[M+Na]+ 197.06854 140.8
[M-H]- 173.07204 135.1
[M+NH4]+ 192.11314 150.2
[M+K]+ 213.04248 141.3
[M+H-H2O]+ 157.07658 126.5
[M+HCOO]- 219.07752 151.6
[M+CH3COO]- 233.09317 145.4
[M+Na-2H]- 195.05399 140.8
[M]+ 174.07877 128.4
[M]- 174.07987 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.