CID 201263

5721-94-8

Structural Information

Molecular Formula
C15H20N2O
SMILES
CCCC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C15H20N2O/c1-3-4-14-15-11(7-8-16-14)12-9-10(18-2)5-6-13(12)17-15/h5-6,9,14,16-17H,3-4,7-8H2,1-2H3
InChIKey
LOCMOGLQVKYNFZ-UHFFFAOYSA-N
Compound name
6-methoxy-1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 157.5
[M+Na]+ 267.14678 166.0
[M-H]- 243.15028 157.5
[M+NH4]+ 262.19138 175.3
[M+K]+ 283.12072 159.8
[M+H-H2O]+ 227.15482 150.3
[M+HCOO]- 289.15576 173.6
[M+CH3COO]- 303.17141 168.3
[M+Na-2H]- 265.13223 161.8
[M]+ 244.15701 156.3
[M]- 244.15811 156.3
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.