CID 201236

Brn 5747748

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC(C)C1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C15H20N2O/c1-9(2)14-15-11(6-7-16-14)12-8-10(18-3)4-5-13(12)17-15/h4-5,8-9,14,16-17H,6-7H2,1-3H3
InChIKey
WHHXPUSBXUWSNB-UHFFFAOYSA-N
Compound name
6-methoxy-1-propan-2-yl-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

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 157.9
[M+Na]+ 267.14678 166.0
[M-H]- 243.15028 158.1
[M+NH4]+ 262.19138 175.7
[M+K]+ 283.12072 160.4
[M+H-H2O]+ 227.15482 150.9
[M+HCOO]- 289.15576 173.0
[M+CH3COO]- 303.17141 168.6
[M+Na-2H]- 265.13223 161.0
[M]+ 244.15701 156.2
[M]- 244.15811 156.2
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.