CID 13426056

N-(3-methyl-1-phenyl-2-propyl-3-pyrazolin-5-ylidene)salicylamide

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CCCN1C(=CC(=NC(=O)C2=CC=CC=C2O)N1C3=CC=CC=C3)C
InChI
InChI=1S/C20H21N3O2/c1-3-13-22-15(2)14-19(23(22)16-9-5-4-6-10-16)21-20(25)17-11-7-8-12-18(17)24/h4-12,14,24H,3,13H2,1-2H3
InChIKey
RWTQXKUJLRYOGZ-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(5-methyl-2-phenyl-1-propylpyrazol-3-ylidene)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.170676 180.7
[M+Na]+ 358.152618 188.9
[M-H]- 334.156124 188.6
[M+NH4]+ 353.197223 193.3
[M+K]+ 374.126558 183.2
[M+H-H2O]+ 318.160660 170.6
[M+HCOO]- 380.161601 203.4
[M+CH3COO]- 394.177251 212.8
[M+Na-2H]- 356.138066 181.8
[M]+ 335.16285142 182.6
[M]- 335.16394858 182.6
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.