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 173.6
[M+Na]+ 350.07406 191.7
[M+NH4]+ 345.11866 185.5
[M+K]+ 366.04800 180.3
[M-H]- 326.07756 180.5
[M+Na-2H]- 348.05951 181.9
[M]+ 327.08429 179.4
[M]- 327.08539 179.4
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

No patent data available for this compound.