CID 6433851

Antipyrine, 4-(2-(p-anisoyl)vinyl)-

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]+ 349.154676 182.7
[M+Na]+ 371.136618 192.2
[M-H]- 347.140124 190.8
[M+NH4]+ 366.181223 195.0
[M+K]+ 387.110558 186.5
[M+H-H2O]+ 331.144660 172.8
[M+HCOO]- 393.145601 204.2
[M+CH3COO]- 407.161251 213.9
[M+Na-2H]- 369.122066 181.9
[M]+ 348.14685142 186.7
[M]- 348.14794858 186.7
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.