CID 9588281

5-thiazoleacetic acid, 2-((o-chlorobenzylidene)amino)-4-(chlorophenyl)-, methyl ester

Structural Information

Molecular Formula
C19H14Cl2N2O2S
SMILES
COC(=O)CC1=C(N=C(S1)/N=C/C2=CC=CC=C2Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H14Cl2N2O2S/c1-25-17(24)10-16-18(12-6-8-14(20)9-7-12)23-19(26-16)22-11-13-4-2-3-5-15(13)21/h2-9,11H,10H2,1H3/b22-11+
InChIKey
JAURMCCNCKJDND-SSDVNMTOSA-N
Compound name
methyl 2-[4-(4-chlorophenyl)-2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.0153 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.022576 193.2
[M+Na]+ 427.004518 203.7
[M-H]- 403.008024 203.3
[M+NH4]+ 422.049123 207.2
[M+K]+ 442.978458 196.2
[M+H-H2O]+ 387.012560 185.4
[M+HCOO]- 449.013501 204.3
[M+CH3COO]- 463.029151 204.1
[M+Na-2H]- 424.989966 191.4
[M]+ 404.01475142 201.8
[M]- 404.01584858 201.8
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.