CID 797629

5-methoxy-2-(4-(4-methoxyphenyl)-5-methyl-1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC1=C(C(=NN1)C2=C(C=C(C=C2)OC)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H18N2O3/c1-11-17(12-4-6-13(22-2)7-5-12)18(20-19-11)15-9-8-14(23-3)10-16(15)21/h4-10,21H,1-3H3,(H,19,20)
InChIKey
XHDYQCVCIIVRJV-UHFFFAOYSA-N
Compound name
5-methoxy-2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 172.4
[M+Na]+ 333.12096 181.8
[M-H]- 309.12446 178.2
[M+NH4]+ 328.16556 185.2
[M+K]+ 349.09490 176.3
[M+H-H2O]+ 293.12900 163.4
[M+HCOO]- 355.12994 192.4
[M+CH3COO]- 369.14559 202.3
[M+Na-2H]- 331.10641 173.6
[M]+ 310.13119 174.6
[M]- 310.13229 174.6
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.