CID 3062493

9,10-dihydro-7,8-dimethoxy-5h-imidazo(2,1-c)(1,4)benzodiazepine

Structural Information

Molecular Formula
C13H17N3O2
SMILES
COC1CC2=C(CN3CC=NC3=CN2)C=C1OC
InChI
InChI=1S/C13H17N3O2/c1-17-11-5-9-8-16-4-3-14-13(16)7-15-10(9)6-12(11)18-2/h3,5,7,12,15H,4,6,8H2,1-2H3
InChIKey
CKODWMIOLRHIRI-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-5,6,7,10-tetrahydro-1H-imidazo[2,1-c][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 154.7
[M+Na]+ 270.12130 162.4
[M-H]- 246.12480 156.4
[M+NH4]+ 265.16590 170.6
[M+K]+ 286.09524 161.8
[M+H-H2O]+ 230.12934 146.4
[M+HCOO]- 292.13028 170.2
[M+CH3COO]- 306.14593 165.4
[M+Na-2H]- 268.10675 159.2
[M]+ 247.13153 152.2
[M]- 247.13263 152.2
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.