CID 198912

3489-13-2

Structural Information

Molecular Formula
C18H18N2
SMILES
CC1=CC(=CC=C1)C2C3=C(CCN2)C4=CC=CC=C4N3
InChI
InChI=1S/C18H18N2/c1-12-5-4-6-13(11-12)17-18-15(9-10-19-17)14-7-2-3-8-16(14)20-18/h2-8,11,17,19-20H,9-10H2,1H3
InChIKey
JAWJYPSOUVXIGQ-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

262.147 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15428 162.2
[M+Na]+ 285.13622 178.0
[M+NH4]+ 280.18082 172.1
[M+K]+ 301.11016 170.4
[M-H]- 261.13972 166.9
[M+Na-2H]- 283.12167 170.0
[M]+ 262.14645 165.9
[M]- 262.14755 165.9
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