CID 1330779

3-methoxy-2-methyl-6-[4-(2-methylphenyl)-5-(trifluoromethyl)-1h-pyrazol-3-yl]phenol

Structural Information

Molecular Formula
C19H17F3N2O2
SMILES
CC1=CC=CC=C1C2=C(NN=C2C3=C(C(=C(C=C3)OC)C)O)C(F)(F)F
InChI
InChI=1S/C19H17F3N2O2/c1-10-6-4-5-7-12(10)15-16(23-24-18(15)19(20,21)22)13-8-9-14(26-3)11(2)17(13)25/h4-9,25H,1-3H3,(H,23,24)
InChIKey
XOTLKSGTSNQJHB-UHFFFAOYSA-N
Compound name
3-methoxy-2-methyl-6-[4-(2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1242 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13148 189.0
[M+Na]+ 385.11342 199.9
[M+NH4]+ 380.15802 192.9
[M+K]+ 401.08736 195.7
[M-H]- 361.11692 187.8
[M+Na-2H]- 383.09887 193.6
[M]+ 362.12365 190.0
[M]- 362.12475 190.0
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.