CID 212521

4-(phenylglyoxylidenamino)antipyrine

Structural Information

Molecular Formula
C19H17N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H17N3O2/c1-14-18(20-13-17(23)15-9-5-3-6-10-15)19(24)22(21(14)2)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKey
UVWNCHQBWPRLAQ-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-(phenacylideneamino)-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.13208 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13936 174.7
[M+Na]+ 342.12130 184.0
[M-H]- 318.12480 184.2
[M+NH4]+ 337.16590 188.4
[M+K]+ 358.09524 178.7
[M+H-H2O]+ 302.12934 164.5
[M+HCOO]- 364.13028 199.4
[M+CH3COO]- 378.14593 212.1
[M+Na-2H]- 340.10675 176.7
[M]+ 319.13153 177.5
[M]- 319.13263 177.5
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.