CID 3015777

35441-12-4

Structural Information

Molecular Formula
C18H18Cl2N2O3S
SMILES
CC1=CC(=C(C=C1C2=NN(CC2)C3=CC=C(C=C3)S(=O)(=O)CCO)Cl)Cl
InChI
InChI=1S/C18H18Cl2N2O3S/c1-12-10-16(19)17(20)11-15(12)18-6-7-22(21-18)13-2-4-14(5-3-13)26(24,25)9-8-23/h2-5,10-11,23H,6-9H2,1H3
InChIKey
ZSKBQNJOXKPYHR-UHFFFAOYSA-N
Compound name
2-[4-[5-(4,5-dichloro-2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.0415 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.04878 195.4
[M+Na]+ 435.03072 210.2
[M+NH4]+ 430.07532 202.2
[M+K]+ 451.00466 202.1
[M-H]- 411.03422 198.6
[M+Na-2H]- 433.01617 202.0
[M]+ 412.04095 199.5
[M]- 412.04205 199.5
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.