CID 486623

N-ethylharmine

Structural Information

Molecular Formula
C15H16N2O
SMILES
CCN1C2=C(C=CC(=C2)OC)C3=C1C(=NC=C3)C
InChI
InChI=1S/C15H16N2O/c1-4-17-14-9-11(18-3)5-6-12(14)13-7-8-16-10(2)15(13)17/h5-9H,4H2,1-3H3
InChIKey
IPKUPGYEVPMEEL-UHFFFAOYSA-N
Compound name
9-ethyl-7-methoxy-1-methylpyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

15
Patents

240.12627 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 154.8
[M+Na]+ 263.11549 167.1
[M-H]- 239.11899 158.7
[M+NH4]+ 258.16009 174.6
[M+K]+ 279.08943 162.2
[M+H-H2O]+ 223.12353 147.2
[M+HCOO]- 285.12447 176.7
[M+CH3COO]- 299.14012 168.4
[M+Na-2H]- 261.10094 161.1
[M]+ 240.12572 160.5
[M]- 240.12682 160.5
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.