CID 9564487

N'-(4-chlorobenzylidene)-3-(5-chloro-2-thienyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C15H10Cl2N4OS
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl)Cl
InChI
InChI=1S/C15H10Cl2N4OS/c16-10-3-1-9(2-4-10)8-18-21-15(22)12-7-11(19-20-12)13-5-6-14(17)23-13/h1-8H,(H,19,20)(H,21,22)/b18-8+
InChIKey
IWWVMKMGUGGVLY-QGMBQPNBSA-N
Compound name
N-[(E)-(4-chlorophenyl)methylideneamino]-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.99524 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.00252 182.5
[M+Na]+ 386.98446 193.6
[M-H]- 362.98796 191.0
[M+NH4]+ 382.02906 197.5
[M+K]+ 402.95840 185.7
[M+H-H2O]+ 346.99250 174.9
[M+HCOO]- 408.99344 195.1
[M+CH3COO]- 423.00909 193.7
[M+Na-2H]- 384.96991 181.7
[M]+ 363.99469 188.2
[M]- 363.99579 188.2
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.