CID 5040063

263717-53-9

Structural Information

Molecular Formula
C24H22N2O3
SMILES
CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3
InChIKey
IOTXSIGGFRQYKW-UHFFFAOYSA-N
Compound name
4-[2,5-bis(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

366
References

570
Patents

386.16306 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17034 197.7
[M+Na]+ 409.15228 214.1
[M+NH4]+ 404.19688 204.3
[M+K]+ 425.12622 207.6
[M-H]- 385.15578 204.1
[M+Na-2H]- 407.13773 207.3
[M]+ 386.16251 202.0
[M]- 386.16361 202.0
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

patents stripe