CID 1330779

385401-40-1

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 183.7
[M+Na]+ 385.11342 194.3
[M-H]- 361.11692 185.9
[M+NH4]+ 380.15802 194.7
[M+K]+ 401.08736 187.1
[M+H-H2O]+ 345.12146 172.7
[M+HCOO]- 407.12240 198.3
[M+CH3COO]- 421.13805 212.2
[M+Na-2H]- 383.09887 182.7
[M]+ 362.12365 181.5
[M]- 362.12475 181.5
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.