CID 336228

Nsc349794

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CC1=CC2=C(C=C1C)N=C3CC4=C(C(=C(C=C4)OC)OC)OC3CN2
InChI
InChI=1S/C20H22N2O3/c1-11-7-14-15(8-12(11)2)22-16-9-13-5-6-17(23-3)20(24-4)19(13)25-18(16)10-21-14/h5-8,18,21H,9-10H2,1-4H3
InChIKey
DWIXYSCHSJYYHO-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-9,10-dimethyl-5a,6,7,13-tetrahydrochromeno[2,3-c][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 180.8
[M+Na]+ 361.15228 189.6
[M-H]- 337.15578 185.5
[M+NH4]+ 356.19688 193.0
[M+K]+ 377.12622 189.4
[M+H-H2O]+ 321.16032 172.8
[M+HCOO]- 383.16126 193.4
[M+CH3COO]- 397.17691 190.5
[M+Na-2H]- 359.13773 185.7
[M]+ 338.16251 181.1
[M]- 338.16361 181.1
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.