CID 201272

Brn 5746741

Structural Information

Molecular Formula
C14H18N2O
SMILES
CCC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C14H18N2O/c1-3-12-14-10(6-7-15-12)11-8-9(17-2)4-5-13(11)16-14/h4-5,8,12,15-16H,3,6-7H2,1-2H3
InChIKey
AOFMJEKZQPTEDI-UHFFFAOYSA-N
Compound name
1-ethyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

230.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 152.9
[M+Na]+ 253.13112 161.8
[M-H]- 229.13462 153.1
[M+NH4]+ 248.17572 171.3
[M+K]+ 269.10506 155.9
[M+H-H2O]+ 213.13916 145.9
[M+HCOO]- 275.14010 169.4
[M+CH3COO]- 289.15575 164.2
[M+Na-2H]- 251.11657 157.7
[M]+ 230.14135 151.4
[M]- 230.14245 151.4
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

patents stripe