CID 6863157

307941-78-2

Structural Information

Molecular Formula
C21H20N4O
SMILES
CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C(=C/C3=CC=CC=C3)/C
InChI
InChI=1S/C21H20N4O/c1-15-8-10-18(11-9-15)19-13-20(24-23-19)21(26)25-22-14-16(2)12-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,24)(H,25,26)/b16-12+,22-14+
InChIKey
FQYXEUGKGRQFCK-UKTRXVHSSA-N
Compound name
3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.170976 183.9
[M+Na]+ 367.152918 189.1
[M-H]- 343.156424 191.0
[M+NH4]+ 362.197523 195.0
[M+K]+ 383.126858 182.5
[M+H-H2O]+ 327.160960 173.2
[M+HCOO]- 389.161901 206.3
[M+CH3COO]- 403.177551 215.7
[M+Na-2H]- 365.138366 185.6
[M]+ 344.16315142 181.9
[M]- 344.16424858 181.9
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.