CID 6433851

4-(2-(p-anisoyl)vinyl)antipyrine

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=C/C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H20N2O3/c1-15-19(13-14-20(24)16-9-11-18(26-3)12-10-16)21(25)23(22(15)2)17-7-5-4-6-8-17/h4-14H,1-3H3/b14-13+
InChIKey
MYXOHXABBFTCNK-BUHFOSPRSA-N
Compound name
4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1474 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15468 183.9
[M+Na]+ 371.13662 199.1
[M+NH4]+ 366.18122 189.9
[M+K]+ 387.11056 193.3
[M-H]- 347.14012 187.9
[M+Na-2H]- 369.12207 191.9
[M]+ 348.14685 187.2
[M]- 348.14795 187.2
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.