CID 377487

Nsc658955

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1CC(=O)NC2=CC=CC=C2N1C(=O)C3CC3
InChI
InChI=1S/C14H16N2O2/c1-9-8-13(17)15-11-4-2-3-5-12(11)16(9)14(18)10-6-7-10/h2-5,9-10H,6-8H2,1H3,(H,15,17)
InChIKey
RTSIQJJFQYKWGG-UHFFFAOYSA-N
Compound name
5-(cyclopropanecarbonyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 154.1
[M+Na]+ 267.11041 161.5
[M-H]- 243.11391 159.1
[M+NH4]+ 262.15501 163.9
[M+K]+ 283.08435 160.7
[M+H-H2O]+ 227.11845 146.5
[M+HCOO]- 289.11939 169.8
[M+CH3COO]- 303.13504 164.2
[M+Na-2H]- 265.09586 157.1
[M]+ 244.12064 150.9
[M]- 244.12174 150.9
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.