CID 777855

Brn 5559124

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCN1C(=O)CCN(C2=CC=CC=C21)C(=O)C
InChI
InChI=1S/C13H16N2O2/c1-3-14-11-6-4-5-7-12(11)15(10(2)16)9-8-13(14)17/h4-7H,3,8-9H2,1-2H3
InChIKey
TXADLQYXCCOWCB-UHFFFAOYSA-N
Compound name
1-acetyl-5-ethyl-2,3-dihydro-1,5-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 147.9
[M+Na]+ 255.110408 154.8
[M-H]- 231.113914 151.0
[M+NH4]+ 250.155013 163.6
[M+K]+ 271.084348 156.2
[M+H-H2O]+ 215.118450 140.7
[M+HCOO]- 277.119391 165.0
[M+CH3COO]- 291.135041 194.0
[M+Na-2H]- 253.095856 151.9
[M]+ 232.12064142 145.1
[M]- 232.12173858 145.1
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.