CID 986471

4-[(4-chlorophenyl)sulfanyl]-1-(4-methoxybenzoyl)-3,5-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C19H17ClN2O2S
SMILES
CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)OC)C)SC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O2S/c1-12-18(25-17-10-6-15(20)7-11-17)13(2)22(21-12)19(23)14-4-8-16(24-3)9-5-14/h4-11H,1-3H3
InChIKey
ZDNMKFODTKZVKL-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.06992 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07720 187.2
[M+Na]+ 395.05914 203.5
[M+NH4]+ 390.10374 195.3
[M+K]+ 411.03308 194.6
[M-H]- 371.06264 192.5
[M+Na-2H]- 393.04459 195.6
[M]+ 372.06937 192.0
[M]- 372.07047 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.