CID 407894

7,8-dimethoxy-2,4-dimethyl-1h-1,5-benzodiazepine

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC1=CC(=NC2=CC(=C(C=C2N1)OC)OC)C
InChI
InChI=1S/C13H16N2O2/c1-8-5-9(2)15-11-7-13(17-4)12(16-3)6-10(11)14-8/h5-7,14H,1-4H3
InChIKey
JNQDWMIBPLCIRV-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-2,4-dimethyl-1H-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 149.0
[M+Na]+ 255.11041 158.0
[M-H]- 231.11391 151.8
[M+NH4]+ 250.15501 164.7
[M+K]+ 271.08435 159.2
[M+H-H2O]+ 215.11845 142.2
[M+HCOO]- 277.11939 168.0
[M+CH3COO]- 291.13504 193.4
[M+Na-2H]- 253.09586 154.8
[M]+ 232.12064 149.6
[M]- 232.12174 149.6
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.