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

6
Patents

230.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 152.9
[M+Na]+ 253.131118 161.8
[M-H]- 229.134624 153.1
[M+NH4]+ 248.175723 171.3
[M+K]+ 269.105058 155.9
[M+H-H2O]+ 213.139160 145.9
[M+HCOO]- 275.140101 169.4
[M+CH3COO]- 289.155751 164.2
[M+Na-2H]- 251.116566 157.7
[M]+ 230.14135142 151.4
[M]- 230.14244858 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