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

literature stripe

Patent stripe

patents stripe