CID 3057826

74241-23-9

Structural Information

Molecular Formula
C19H17ClN2O2S
SMILES
COC(=O)CC1=C(N=C(S1)NCC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O2S/c1-24-17(23)11-16-18(14-7-9-15(20)10-8-14)22-19(25-16)21-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,21,22)
InChIKey
RQYCZHRQDQYARD-UHFFFAOYSA-N
Compound name
methyl 2-[2-(benzylamino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.06992 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07720 186.2
[M+Na]+ 395.05914 200.7
[M+NH4]+ 390.10374 194.6
[M+K]+ 411.03308 191.6
[M-H]- 371.06264 192.4
[M+Na-2H]- 393.04459 195.4
[M]+ 372.06937 190.9
[M]- 372.07047 190.9
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.