CID 5560959

329077-90-9

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-KSEXSDGBSA-N
Compound name
N-[(Z)-(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 198.7
[M+Na]+ 451.01577 214.6
[M+NH4]+ 446.06037 207.1
[M+K]+ 466.98971 206.1
[M-H]- 427.01927 205.3
[M+Na-2H]- 449.00122 207.4
[M]+ 428.02600 203.9
[M]- 428.02710 203.9
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.