CID 13341651

54943-16-7

Structural Information

Molecular Formula
C14H14ClNS
SMILES
C1CN(CC2=C1SC=C2)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H14ClNS/c15-13-3-1-2-11(8-13)9-16-6-4-14-12(10-16)5-7-17-14/h1-3,5,7-8H,4,6,9-10H2
InChIKey
OIOUADIQAAAVRC-UHFFFAOYSA-N
Compound name
5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 157.3
[M+Na]+ 286.04278 166.7
[M-H]- 262.04628 163.5
[M+NH4]+ 281.08738 177.2
[M+K]+ 302.01672 160.4
[M+H-H2O]+ 246.05082 151.1
[M+HCOO]- 308.05176 168.7
[M+CH3COO]- 322.06741 169.5
[M+Na-2H]- 284.02823 158.8
[M]+ 263.05301 159.0
[M]- 263.05411 159.0
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