CID 12337030

62019-75-4

Structural Information

Molecular Formula
C14H14ClNS
SMILES
C1CN(CC2=C1C=CS2)CC3=CC=CC=C3Cl
InChI
InChI=1S/C14H14ClNS/c15-13-4-2-1-3-12(13)9-16-7-5-11-6-8-17-14(11)10-16/h1-4,6,8H,5,7,9-10H2
InChIKey
HPUZXEAFETYUCC-UHFFFAOYSA-N
Compound name
6-[(2-chlorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

263.05356 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06084 156.1
[M+Na]+ 286.04278 171.1
[M+NH4]+ 281.08738 167.4
[M+K]+ 302.01672 161.2
[M-H]- 262.04628 161.6
[M+Na-2H]- 284.02823 164.0
[M]+ 263.05301 160.7
[M]- 263.05411 160.7
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