CID 3053924

(1)benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-2,3-dimethyl-4-phenyl-, hydrochloride

Structural Information

Molecular Formula
C19H18ClNS
SMILES
CC1C(C2=C(CN1C)C3=C(S2)C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C19H18ClNS/c1-12-18(13-6-4-3-5-7-13)19-16(11-21(12)2)15-10-14(20)8-9-17(15)22-19/h3-10,12,18H,11H2,1-2H3
InChIKey
UXOZOCDNXMLVNU-UHFFFAOYSA-N
Compound name
8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.08484 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09212 175.1
[M+Na]+ 350.07406 187.3
[M-H]- 326.07756 183.0
[M+NH4]+ 345.11866 194.2
[M+K]+ 366.04800 179.2
[M+H-H2O]+ 310.08210 168.6
[M+HCOO]- 372.08304 186.0
[M+CH3COO]- 386.09869 187.2
[M+Na-2H]- 348.05951 175.9
[M]+ 327.08429 180.1
[M]- 327.08539 180.1
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

No patent data available for this compound.