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

1079
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

literature stripe

Patent stripe

patents stripe