CID 1036398

4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1h-pyrazol-3-yl]phenol

Structural Information

Molecular Formula
C19H17F3N2O2
SMILES
CCC1=CC(=C(C=C1OC)O)C2=NNC(=C2C3=CC=CC=C3)C(F)(F)F
InChI
InChI=1S/C19H17F3N2O2/c1-3-11-9-13(14(25)10-15(11)26-2)17-16(12-7-5-4-6-8-12)18(24-23-17)19(20,21)22/h4-10,25H,3H2,1-2H3,(H,23,24)
InChIKey
SNUBRUPQCUACSG-UHFFFAOYSA-N
Compound name
4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 183.4
[M+Na]+ 385.11342 193.1
[M-H]- 361.11692 185.2
[M+NH4]+ 380.15802 194.1
[M+K]+ 401.08736 185.8
[M+H-H2O]+ 345.12146 172.1
[M+HCOO]- 407.12240 198.0
[M+CH3COO]- 421.13805 210.9
[M+Na-2H]- 383.09887 183.1
[M]+ 362.12365 180.8
[M]- 362.12475 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.