CID 264624

7-methoxy-1,2-dimethyl-1h,2h,3h,4h,9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC1C2=C(CCN1C)C3=C(N2)C=C(C=C3)OC
InChI
InChI=1S/C14H18N2O/c1-9-14-12(6-7-16(9)2)11-5-4-10(17-3)8-13(11)15-14/h4-5,8-9,15H,6-7H2,1-3H3
InChIKey
XESCOJFEJCDSFL-UHFFFAOYSA-N
Compound name
7-methoxy-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 153.0
[M+Na]+ 253.13112 163.3
[M-H]- 229.13462 155.0
[M+NH4]+ 248.17572 172.5
[M+K]+ 269.10506 158.2
[M+H-H2O]+ 213.13916 146.0
[M+HCOO]- 275.14010 171.0
[M+CH3COO]- 289.15575 165.3
[M+Na-2H]- 251.11657 157.5
[M]+ 230.14135 153.8
[M]- 230.14245 153.8
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.