CID 43080216

1041546-96-6

Structural Information

Molecular Formula
C15H16Cl2N2S
SMILES
C1CN(CC2=C1SC=C2)C(CN)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H16Cl2N2S/c16-12-2-1-10(7-13(12)17)14(8-18)19-5-3-15-11(9-19)4-6-20-15/h1-2,4,6-7,14H,3,5,8-9,18H2
InChIKey
QUFWIDQUOJYCGA-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.04114 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.04842 172.1
[M+Na]+ 349.03036 180.8
[M-H]- 325.03386 177.2
[M+NH4]+ 344.07496 189.4
[M+K]+ 365.00430 173.4
[M+H-H2O]+ 309.03840 166.5
[M+HCOO]- 371.03934 177.4
[M+CH3COO]- 385.05499 182.4
[M+Na-2H]- 347.01581 170.5
[M]+ 326.04059 173.6
[M]- 326.04169 173.6
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.