CID 5483578

Propyl harmol

Structural Information

Molecular Formula
C15H16N2O
SMILES
CCCOC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C15H16N2O/c1-3-8-18-11-4-5-12-13-6-7-16-10(2)15(13)17-14(12)9-11/h4-7,9,17H,3,8H2,1-2H3
InChIKey
ROPQRKIYWVDATM-UHFFFAOYSA-N
Compound name
1-methyl-7-propoxy-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12627 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 154.5
[M+Na]+ 263.11549 169.8
[M+NH4]+ 258.16009 163.5
[M+K]+ 279.08943 163.2
[M-H]- 239.11899 156.8
[M+Na-2H]- 261.10094 160.9
[M]+ 240.12572 157.4
[M]- 240.12682 157.4
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.