CID 163582

3-pyridinemethanamine, n-(2,4-dichlorophenyl)-n-(4,5-dihydro-2-thiazolyl)-

Structural Information

Molecular Formula
C15H13Cl2N3S
SMILES
C1CSC(=N1)N(CC2=CN=CC=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H13Cl2N3S/c16-12-3-4-14(13(17)8-12)20(15-19-6-7-21-15)10-11-2-1-5-18-9-11/h1-5,8-9H,6-7,10H2
InChIKey
VGXHTPXYGLZKIO-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

337.02072 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.02800 173.4
[M+Na]+ 360.00994 182.7
[M-H]- 336.01344 181.4
[M+NH4]+ 355.05454 188.3
[M+K]+ 375.98388 176.1
[M+H-H2O]+ 320.01798 164.9
[M+HCOO]- 382.01892 182.3
[M+CH3COO]- 396.03457 184.4
[M+Na-2H]- 357.99539 173.8
[M]+ 337.02017 177.5
[M]- 337.02127 177.5
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