CID 396125

Nsc701669

Structural Information

Molecular Formula
C23H20Cl2N4OS
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=C(C=C(C=C4)Cl)Cl)CC=C
InChI
InChI=1S/C23H20Cl2N4OS/c1-4-12-28-20(18-11-10-16(24)13-19(18)25)14-31-23(28)26-21-15(2)27(3)29(22(21)30)17-8-6-5-7-9-17/h4-11,13-14H,1,12H2,2-3H3
InChIKey
QMTRFLIXQJTXKF-UHFFFAOYSA-N
Compound name
4-[[4-(2,4-dichlorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.0735 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.08078 215.8
[M+Na]+ 493.06272 230.5
[M-H]- 469.06622 227.9
[M+NH4]+ 488.10732 226.9
[M+K]+ 509.03666 220.4
[M+H-H2O]+ 453.07076 206.1
[M+HCOO]- 515.07170 226.9
[M+CH3COO]- 529.08735 226.2
[M+Na-2H]- 491.04817 209.5
[M]+ 470.07295 226.3
[M]- 470.07405 226.3
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.