CID 4285050

6-chloro-1-(4-methylphenyl)-1h,2h,3h,4h,9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula
C18H17ClN2
SMILES
CC1=CC=C(C=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)Cl
InChI
InChI=1S/C18H17ClN2/c1-11-2-4-12(5-3-11)17-18-14(8-9-20-17)15-10-13(19)6-7-16(15)21-18/h2-7,10,17,20-21H,8-9H2,1H3
InChIKey
HXOMGWYMKDFJHO-UHFFFAOYSA-N
Compound name
6-chloro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

296.10803 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11531 168.9
[M+Na]+ 319.09725 179.2
[M-H]- 295.10075 172.2
[M+NH4]+ 314.14185 185.2
[M+K]+ 335.07119 169.6
[M+H-H2O]+ 279.10529 160.9
[M+HCOO]- 341.10623 180.4
[M+CH3COO]- 355.12188 179.4
[M+Na-2H]- 317.08270 172.4
[M]+ 296.10748 167.4
[M]- 296.10858 167.4
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