CID 135499343

Nsc652207

Structural Information

Molecular Formula
C20H17N3O4
SMILES
CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C20H17N3O4/c1-12-18(11-14-3-9-17(25)10-4-14)20(27)23(22-12)19(26)15-5-7-16(8-6-15)21-13(2)24/h3-11,25H,1-2H3,(H,21,24)/b18-11-
InChIKey
WKWZFIXERCCQLF-WQRHYEAKSA-N
Compound name
N-[4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-3-methyl-5-oxopyrazole-1-carbonyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12192 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12920 185.3
[M+Na]+ 386.11114 192.8
[M-H]- 362.11464 192.2
[M+NH4]+ 381.15574 195.8
[M+K]+ 402.08508 187.5
[M+H-H2O]+ 346.11918 175.9
[M+HCOO]- 408.12012 204.8
[M+CH3COO]- 422.13577 215.4
[M+Na-2H]- 384.09659 183.5
[M]+ 363.12137 185.2
[M]- 363.12247 185.2
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.