CID 6870416

N'-(2,4-dichlorobenzylidene)-3-methyl-1-phenyl-1h-thieno[2,3-c]pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C20H14Cl2N4OS
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)N/N=C/C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C20H14Cl2N4OS/c1-12-16-10-18(28-20(16)26(25-12)15-5-3-2-4-6-15)19(27)24-23-11-13-7-8-14(21)9-17(13)22/h2-11H,1H3,(H,24,27)/b23-11+
InChIKey
SNWMEDUWALMZFB-FOKLQQMPSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.02655 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.03383 202.0
[M+Na]+ 451.01577 214.4
[M-H]- 427.01927 212.7
[M+NH4]+ 446.06037 216.5
[M+K]+ 466.98971 206.2
[M+H-H2O]+ 411.02381 194.1
[M+HCOO]- 473.02475 214.2
[M+CH3COO]- 487.04040 212.9
[M+Na-2H]- 449.00122 200.6
[M]+ 428.02600 211.3
[M]- 428.02710 211.3
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.