CID 19615

17223-45-9

Structural Information

Molecular Formula
C12H13ClN2
SMILES
CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C12H13ClN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h2-3,6,14H,4-5,7H2,1H3
InChIKey
KFCWIHUDWIRLEE-UHFFFAOYSA-N
Compound name
8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

88
Patents

220.07672 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08400 145.5
[M+Na]+ 243.06594 160.9
[M+NH4]+ 238.11054 155.8
[M+K]+ 259.03988 154.0
[M-H]- 219.06944 148.1
[M+Na-2H]- 241.05139 151.5
[M]+ 220.07617 148.8
[M]- 220.07727 148.8
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