CID 486627

9h-pyrido[3,4-b]indolium, 6-bromo-7-methoxy-1,2-dimethyl-9-propyl-

Structural Information

Molecular Formula
C17H20BrN2O
SMILES
CCCN1C2=CC(=C(C=C2C3=C1C(=[N+](C=C3)C)C)Br)OC
InChI
InChI=1S/C17H20BrN2O/c1-5-7-20-15-10-16(21-4)14(18)9-13(15)12-6-8-19(3)11(2)17(12)20/h6,8-10H,5,7H2,1-4H3/q+1
InChIKey
HVKDOTMPQYFGSM-UHFFFAOYSA-N
Compound name
6-bromo-7-methoxy-1,2-dimethyl-9-propylpyrido[3,4-b]indol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.0759 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08318 179.1
[M+Na]+ 370.06512 194.3
[M-H]- 346.06862 186.2
[M+NH4]+ 365.10972 198.5
[M+K]+ 386.03906 176.6
[M+H-H2O]+ 330.07316 180.5
[M+HCOO]- 392.07410 197.6
[M+CH3COO]- 406.08975 206.5
[M+Na-2H]- 368.05057 185.9
[M]+ 347.07535 203.4
[M]- 347.07645 203.4
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.