CID 198916

3489-15-4

Structural Information

Molecular Formula
C18H18N2O
SMILES
COC1=CC=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3
InChI
InChI=1S/C18H18N2O/c1-21-13-8-6-12(7-9-13)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-9,17,19-20H,10-11H2,1H3
InChIKey
ITPCPUZQSFRMJO-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

48
Patents

278.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 165.6
[M+Na]+ 301.13112 180.9
[M+NH4]+ 296.17572 174.9
[M+K]+ 317.10506 173.8
[M-H]- 277.13462 169.8
[M+Na-2H]- 299.11657 172.9
[M]+ 278.14135 169.1
[M]- 278.14245 169.1
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

patents stripe