CID 15956106

N-(4-chloro-3-(thiazol-2-ylmethoxy)phenyl)thiazol-2-amine

Structural Information

Molecular Formula
C13H10ClN3OS2
SMILES
C1=CC(=C(C=C1NC2=NC=CS2)OCC3=NC=CS3)Cl
InChI
InChI=1S/C13H10ClN3OS2/c14-10-2-1-9(17-13-16-4-6-20-13)7-11(10)18-8-12-15-3-5-19-12/h1-7H,8H2,(H,16,17)
InChIKey
YLVYXUWNNHOVBA-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

322.9954 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.00268 167.3
[M+Na]+ 345.98462 179.9
[M-H]- 321.98812 176.4
[M+NH4]+ 341.02922 184.5
[M+K]+ 361.95856 173.2
[M+H-H2O]+ 305.99266 160.9
[M+HCOO]- 367.99360 180.5
[M+CH3COO]- 382.00925 180.1
[M+Na-2H]- 343.97007 167.5
[M]+ 322.99485 174.7
[M]- 322.99595 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe