CID 5482463

7-hexadecoxy-1-methyl-9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula
C28H42N2O
SMILES
CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C28H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-24-17-18-25-26-19-20-29-23(2)28(26)30-27(25)22-24/h17-20,22,30H,3-16,21H2,1-2H3
InChIKey
DBUHYBAOQYZTIA-UHFFFAOYSA-N
Compound name
7-hexadecoxy-1-methyl-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

422.3297 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.33698 214.1
[M+Na]+ 445.31892 218.9
[M-H]- 421.32242 213.6
[M+NH4]+ 440.36352 225.1
[M+K]+ 461.29286 210.2
[M+H-H2O]+ 405.32696 203.7
[M+HCOO]- 467.32790 229.8
[M+CH3COO]- 481.34355 230.5
[M+Na-2H]- 443.30437 213.5
[M]+ 422.32915 221.7
[M]- 422.33025 221.7
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.