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]+ 233.12847 147.9
[M+Na]+ 255.11041 154.8
[M-H]- 231.11391 151.0
[M+NH4]+ 250.15501 163.6
[M+K]+ 271.08435 156.2
[M+H-H2O]+ 215.11845 140.7
[M+HCOO]- 277.11939 165.0
[M+CH3COO]- 291.13504 194.0
[M+Na-2H]- 253.09586 151.9
[M]+ 232.12064 145.1
[M]- 232.12174 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.