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]+ 345.17098 183.9
[M+Na]+ 367.15292 189.1
[M-H]- 343.15642 191.0
[M+NH4]+ 362.19752 195.0
[M+K]+ 383.12686 182.5
[M+H-H2O]+ 327.16096 173.2
[M+HCOO]- 389.16190 206.3
[M+CH3COO]- 403.17755 215.7
[M+Na-2H]- 365.13837 185.6
[M]+ 344.16315 181.9
[M]- 344.16425 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.