CID 203778

15166-24-2

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CCN(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(=O)C3=CC=CC=C3O
InChI
InChI=1S/C20H21N3O3/c1-4-22(19(25)16-12-8-9-13-17(16)24)18-14(2)21(3)23(20(18)26)15-10-6-5-7-11-15/h5-13,24H,4H2,1-3H3
InChIKey
WTNSMTHXHXQAJJ-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethyl-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1583 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 183.1
[M+Na]+ 374.14752 191.5
[M-H]- 350.15102 191.5
[M+NH4]+ 369.19212 195.0
[M+K]+ 390.12146 187.2
[M+H-H2O]+ 334.15556 173.3
[M+HCOO]- 396.15650 204.9
[M+CH3COO]- 410.17215 217.8
[M+Na-2H]- 372.13297 182.5
[M]+ 351.15775 186.3
[M]- 351.15885 186.3
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.