CID 4369536

5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C19H18ClN3O4
SMILES
CCNC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2O)O)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)
InChIKey
HUNAOTXNHVALTN-UHFFFAOYSA-N
Compound name
3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1082
Patents

387.09857 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10585 188.9
[M+Na]+ 410.08779 197.7
[M-H]- 386.09129 193.6
[M+NH4]+ 405.13239 198.4
[M+K]+ 426.06173 190.8
[M+H-H2O]+ 370.09583 180.4
[M+HCOO]- 432.09677 202.9
[M+CH3COO]- 446.11242 215.0
[M+Na-2H]- 408.07324 187.7
[M]+ 387.09802 191.7
[M]- 387.09912 191.7
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.