CID 2136470

301331-51-1

Structural Information

Molecular Formula
C26H34N2O2S2
SMILES
CC1=C(C(=NN1S(=O)(=O)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C)SC3=CC=CC=C3
InChI
InChI=1S/C26H34N2O2S2/c1-16(2)21-14-23(17(3)4)26(24(15-21)18(5)6)32(29,30)28-20(8)25(19(7)27-28)31-22-12-10-9-11-13-22/h9-18H,1-8H3
InChIKey
ZETWYCAKXKLAAE-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-phenylsulfanyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.20618 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.21346 211.3
[M+Na]+ 493.19540 219.0
[M-H]- 469.19890 218.9
[M+NH4]+ 488.24000 220.2
[M+K]+ 509.16934 212.3
[M+H-H2O]+ 453.20344 203.4
[M+HCOO]- 515.20438 217.1
[M+CH3COO]- 529.22003 238.2
[M+Na-2H]- 491.18085 203.8
[M]+ 470.20563 218.7
[M]- 470.20673 218.7
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.