CID 459445

M-amino-n-(5-hydroxy-1-m-tolyl-3-pyrazolyl)benzamide

Structural Information

Molecular Formula
C17H16N4O2
SMILES
CC1=CC(=CC=C1)N2C(=O)C=C(N2)NC(=O)C3=CC(=CC=C3)N
InChI
InChI=1S/C17H16N4O2/c1-11-4-2-7-14(8-11)21-16(22)10-15(20-21)19-17(23)12-5-3-6-13(18)9-12/h2-10,20H,18H2,1H3,(H,19,23)
InChIKey
BWHDUYQSSKAZGO-UHFFFAOYSA-N
Compound name
3-amino-N-[2-(3-methylphenyl)-3-oxo-1H-pyrazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12732 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 170.9
[M+Na]+ 331.11654 179.0
[M-H]- 307.12004 177.6
[M+NH4]+ 326.16114 183.2
[M+K]+ 347.09048 172.9
[M+H-H2O]+ 291.12458 161.4
[M+HCOO]- 353.12552 193.5
[M+CH3COO]- 367.14117 181.7
[M+Na-2H]- 329.10199 172.9
[M]+ 308.12677 168.5
[M]- 308.12787 168.5
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.