CID 75356194

5-cyclopropyl-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CC1N2CCC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C12H14N2O/c15-12-7-8-14(9-5-6-9)11-4-2-1-3-10(11)13-12/h1-4,9H,5-8H2,(H,13,15)
InChIKey
DREUVCCPWCNFRY-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3,4-dihydro-1H-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 144.0
[M+Na]+ 225.099828 151.5
[M-H]- 201.103334 148.9
[M+NH4]+ 220.144433 155.2
[M+K]+ 241.073768 150.6
[M+H-H2O]+ 185.107870 136.4
[M+HCOO]- 247.108811 161.0
[M+CH3COO]- 261.124461 154.7
[M+Na-2H]- 223.085276 149.6
[M]+ 202.11006142 139.7
[M]- 202.11115858 139.7
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.