CID 201180

3380-80-1

Structural Information

Molecular Formula
C17H15ClN2
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H15ClN2/c18-12-7-5-11(6-8-12)16-17-14(9-10-19-16)13-3-1-2-4-15(13)20-17/h1-8,16,19-20H,9-10H2
InChIKey
ILKMFTINEKPIRM-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

73
Patents

282.09238 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09966 163.5
[M+Na]+ 305.08160 173.3
[M-H]- 281.08510 166.6
[M+NH4]+ 300.12620 180.0
[M+K]+ 321.05554 163.9
[M+H-H2O]+ 265.08964 155.5
[M+HCOO]- 327.09058 175.4
[M+CH3COO]- 341.10623 174.1
[M+Na-2H]- 303.06705 168.3
[M]+ 282.09183 161.3
[M]- 282.09293 161.3
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