CID 5287469

N-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C18H14ClN3O4
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NN=C2)C3=CC(=C(C=C3O)O)Cl
InChI
InChI=1S/C18H14ClN3O4/c1-9(23)10-2-4-11(5-3-10)21-18(26)13-8-20-22-17(13)12-6-14(19)16(25)7-15(12)24/h2-8,24-25H,1H3,(H,20,22)(H,21,26)
InChIKey
BTTFXKUTBNGQTP-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

371.0673 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.07458 182.9
[M+Na]+ 394.05652 191.3
[M-H]- 370.06002 187.6
[M+NH4]+ 389.10112 192.6
[M+K]+ 410.03046 184.5
[M+H-H2O]+ 354.06456 174.7
[M+HCOO]- 416.06550 196.5
[M+CH3COO]- 430.08115 211.1
[M+Na-2H]- 392.04197 181.9
[M]+ 371.06675 183.8
[M]- 371.06785 183.8
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