CID 3721874

5-ethoxy-2-(4-(4-fluorophenyl)-5-methyl-1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula
C18H17FN2O2
SMILES
CCOC1=CC(=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)F)C)O
InChI
InChI=1S/C18H17FN2O2/c1-3-23-14-8-9-15(16(22)10-14)18-17(11(2)20-21-18)12-4-6-13(19)7-5-12/h4-10,22H,3H2,1-2H3,(H,20,21)
InChIKey
BDIYLAGZQDBUQS-UHFFFAOYSA-N
Compound name
5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.1274 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13468 172.2
[M+Na]+ 335.11662 181.9
[M-H]- 311.12012 176.5
[M+NH4]+ 330.16122 184.9
[M+K]+ 351.09056 175.1
[M+H-H2O]+ 295.12466 162.4
[M+HCOO]- 357.12560 191.0
[M+CH3COO]- 371.14125 182.9
[M+Na-2H]- 333.10207 172.7
[M]+ 312.12685 172.0
[M]- 312.12795 172.0
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.