CID 135521340

Nsc640340

Structural Information

Molecular Formula
C27H22Cl2N4O3S
SMILES
CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)/C(=N/NC(=O)C3=CC=CC=C3)/C=CC4=CC(=C(C=C4)O)OC
InChI
InChI=1S/C27H22Cl2N4O3S/c1-16-25(37-27(30-16)31-19-10-11-20(28)21(29)15-19)22(32-33-26(35)18-6-4-3-5-7-18)12-8-17-9-13-23(34)24(14-17)36-2/h3-15,34H,1-2H3,(H,30,31)(H,33,35)/b12-8?,32-22+
InChIKey
ZATAOEBGRWUVMS-IPQCUUKSSA-N
Compound name
N-[(E)-[1-[2-(3,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.079 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.08628 230.4
[M+Na]+ 575.06822 237.3
[M-H]- 551.07172 241.8
[M+NH4]+ 570.11282 236.6
[M+K]+ 591.04216 228.9
[M+H-H2O]+ 535.07626 221.2
[M+HCOO]- 597.07720 240.1
[M+CH3COO]- 611.09285 237.3
[M+Na-2H]- 573.05367 227.1
[M]+ 552.07845 237.7
[M]- 552.07955 237.7
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.