CID 39150125

1176721-33-7

Structural Information

Molecular Formula
C10H8ClN3O2S
SMILES
C1=CC(=NC=C1Cl)NC2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C10H8ClN3O2S/c11-6-1-2-8(12-4-6)14-10-13-7(5-17-10)3-9(15)16/h1-2,4-5H,3H2,(H,15,16)(H,12,13,14)
InChIKey
WIOGHRQAKIRMAP-UHFFFAOYSA-N
Compound name
2-[2-[(5-chloropyridin-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.00256 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.00984 154.4
[M+Na]+ 291.99178 164.1
[M-H]- 267.99528 158.2
[M+NH4]+ 287.03638 170.5
[M+K]+ 307.96572 158.7
[M+H-H2O]+ 251.99982 147.6
[M+HCOO]- 314.00076 167.8
[M+CH3COO]- 328.01641 191.5
[M+Na-2H]- 289.97723 156.2
[M]+ 269.00201 157.9
[M]- 269.00311 157.9
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.