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]+ 231.149176 153.0
[M+Na]+ 253.131118 163.3
[M-H]- 229.134624 155.0
[M+NH4]+ 248.175723 172.5
[M+K]+ 269.105058 158.2
[M+H-H2O]+ 213.139160 146.0
[M+HCOO]- 275.140101 171.0
[M+CH3COO]- 289.155751 165.3
[M+Na-2H]- 251.116566 157.5
[M]+ 230.14135142 153.8
[M]- 230.14244858 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.