CID 212506

Antipyrine, 4-((p-phenylphenacylidene)amino)-

Structural Information

Molecular Formula
C25H23N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H23N3O2/c1-18-24(25(30)28(27(18)2)22-11-7-4-8-12-22)26-17-23(29)21-15-13-20(14-16-21)19-9-5-3-6-10-19/h3-16,26H,17H2,1-2H3
InChIKey
QISFIVUBOSXDFW-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-[[2-oxo-2-(4-phenylphenyl)ethyl]amino]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.17902 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18630 197.5
[M+Na]+ 420.16824 205.1
[M-H]- 396.17174 208.3
[M+NH4]+ 415.21284 206.7
[M+K]+ 436.14218 197.9
[M+H-H2O]+ 380.17628 185.7
[M+HCOO]- 442.17722 219.3
[M+CH3COO]- 456.19287 207.1
[M+Na-2H]- 418.15369 197.4
[M]+ 397.17847 198.7
[M]- 397.17957 198.7
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.