CID 3973224

1256760-54-9

Structural Information

Molecular Formula
C18H17ClN2O
SMILES
COC1=CC=C(C=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)Cl
InChI
InChI=1S/C18H17ClN2O/c1-22-13-5-2-11(3-6-13)17-18-14(8-9-20-17)15-10-12(19)4-7-16(15)21-18/h2-7,10,17,20-21H,8-9H2,1H3
InChIKey
BEIYDKMKDJZYSU-UHFFFAOYSA-N
Compound name
6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

49
Patents

312.10294 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11022 171.7
[M+Na]+ 335.09216 188.3
[M+NH4]+ 330.13676 181.3
[M+K]+ 351.06610 180.4
[M-H]- 311.09566 176.1
[M+Na-2H]- 333.07761 178.9
[M]+ 312.10239 175.8
[M]- 312.10349 175.8
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

patents stripe