CID 212507

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

Structural Information

Molecular Formula
C25H23N3O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C25H23N3O3/c1-18-24(25(30)28(27(18)2)20-9-5-3-6-10-20)26-17-23(29)19-13-15-22(16-14-19)31-21-11-7-4-8-12-21/h3-16,26H,17H2,1-2H3
InChIKey
OBEXQZFTKTUHBF-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-[[2-oxo-2-(4-phenoxyphenyl)ethyl]amino]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.17395 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.18123 200.3
[M+Na]+ 436.16317 207.6
[M-H]- 412.16667 211.1
[M+NH4]+ 431.20777 208.6
[M+K]+ 452.13711 201.2
[M+H-H2O]+ 396.17121 188.3
[M+HCOO]- 458.17215 222.2
[M+CH3COO]- 472.18780 209.7
[M+Na-2H]- 434.14862 200.3
[M]+ 413.17340 202.8
[M]- 413.17450 202.8
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.