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]+ 245.164836 157.9
[M+Na]+ 267.146778 166.0
[M-H]- 243.150284 158.1
[M+NH4]+ 262.191383 175.7
[M+K]+ 283.120718 160.4
[M+H-H2O]+ 227.154820 150.9
[M+HCOO]- 289.155761 173.0
[M+CH3COO]- 303.171411 168.6
[M+Na-2H]- 265.132226 161.0
[M]+ 244.15701142 156.2
[M]- 244.15810858 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.