CID 44196

62903-65-5

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCOC1=NCC(=O)N(C2=C1C=C(C=C2)C)C
InChI
InChI=1S/C13H16N2O2/c1-4-17-13-10-7-9(2)5-6-11(10)15(3)12(16)8-14-13/h5-7H,4,8H2,1-3H3
InChIKey
APXRBRJVJGKTSC-UHFFFAOYSA-N
Compound name
5-ethoxy-1,7-dimethyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 148.3
[M+Na]+ 255.11041 157.0
[M-H]- 231.11391 152.0
[M+NH4]+ 250.15501 164.6
[M+K]+ 271.08435 158.5
[M+H-H2O]+ 215.11845 141.2
[M+HCOO]- 277.11939 167.5
[M+CH3COO]- 291.13504 194.7
[M+Na-2H]- 253.09586 153.7
[M]+ 232.12064 148.5
[M]- 232.12174 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.