CID 1101245

4-(3,4-dimethoxybenzylideneamino)antipyrine

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H21N3O3/c1-14-19(20(24)23(22(14)2)16-8-6-5-7-9-16)21-13-15-10-11-17(25-3)18(12-15)26-4/h5-13H,1-4H3
InChIKey
CLWGXFVQBMLUHI-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

351.1583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 183.4
[M+Na]+ 374.14752 193.8
[M-H]- 350.15102 193.3
[M+NH4]+ 369.19212 196.5
[M+K]+ 390.12146 189.2
[M+H-H2O]+ 334.15556 173.0
[M+HCOO]- 396.15650 208.6
[M+CH3COO]- 410.17215 219.6
[M+Na-2H]- 372.13297 184.6
[M]+ 351.15775 190.0
[M]- 351.15885 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.