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]+ 203.11789 144.0
[M+Na]+ 225.09983 151.5
[M-H]- 201.10333 148.9
[M+NH4]+ 220.14443 155.2
[M+K]+ 241.07377 150.6
[M+H-H2O]+ 185.10787 136.4
[M+HCOO]- 247.10881 161.0
[M+CH3COO]- 261.12446 154.7
[M+Na-2H]- 223.08528 149.6
[M]+ 202.11006 139.7
[M]- 202.11116 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.