CID 248750

4,7,8-trimethyl-1,3-dihydro-2h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1=NC2=C(C=C(C(=C2)C)C)NC(=O)C1
InChI
InChI=1S/C12H14N2O/c1-7-4-10-11(5-8(7)2)14-12(15)6-9(3)13-10/h4-5H,6H2,1-3H3,(H,14,15)
InChIKey
IDDCWQJUWJCXKM-UHFFFAOYSA-N
Compound name
4,7,8-trimethyl-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 141.5
[M+Na]+ 225.099828 150.3
[M-H]- 201.103334 144.1
[M+NH4]+ 220.144433 158.2
[M+K]+ 241.073768 150.6
[M+H-H2O]+ 185.107870 135.1
[M+HCOO]- 247.108811 159.4
[M+CH3COO]- 261.124461 188.1
[M+Na-2H]- 223.085276 146.9
[M]+ 202.11006142 138.4
[M]- 202.11115858 138.4
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.