CID 3071325

2h-1,3-benzodiazepine-2-thione, 1,3,4,5-tetrahydro-7-methoxy-3-(2-methoxyethyl)-

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
COCCN1CCC2=C(C=CC(=C2)OC)NC1=S
InChI
InChI=1S/C13H18N2O2S/c1-16-8-7-15-6-5-10-9-11(17-2)3-4-12(10)14-13(15)18/h3-4,9H,5-8H2,1-2H3,(H,14,18)
InChIKey
FZYASGLABCENOT-UHFFFAOYSA-N
Compound name
7-methoxy-3-(2-methoxyethyl)-4,5-dihydro-1H-1,3-benzodiazepine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1089 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11618 158.7
[M+Na]+ 289.09812 168.4
[M+NH4]+ 284.14272 165.4
[M+K]+ 305.07206 161.7
[M-H]- 265.10162 159.3
[M+Na-2H]- 287.08357 162.0
[M]+ 266.10835 160.6
[M]- 266.10945 160.6
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.