CID 3061874

Indole, 5-chloro-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H15ClN2
SMILES
CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C14H15ClN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
InChIKey
CXKIOPZKRMEFOU-UHFFFAOYSA-N
Compound name
5-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
Patents

246.09238 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09966 155.0
[M+Na]+ 269.08160 165.2
[M-H]- 245.08510 158.7
[M+NH4]+ 264.12620 173.0
[M+K]+ 285.05554 157.9
[M+H-H2O]+ 229.08964 147.3
[M+HCOO]- 291.09058 169.7
[M+CH3COO]- 305.10623 167.0
[M+Na-2H]- 267.06705 159.0
[M]+ 246.09183 154.6
[M]- 246.09293 154.6
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