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]+ 414.181226 200.3
[M+Na]+ 436.163168 207.6
[M-H]- 412.166674 211.1
[M+NH4]+ 431.207773 208.6
[M+K]+ 452.137108 201.2
[M+H-H2O]+ 396.171210 188.3
[M+HCOO]- 458.172151 222.2
[M+CH3COO]- 472.187801 209.7
[M+Na-2H]- 434.148616 200.3
[M]+ 413.17340142 202.8
[M]- 413.17449858 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.