CID 690798

329934-34-1

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CCOC1=CC=CC=C1C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C20H21N3O2/c1-4-25-18-13-9-8-10-16(18)14-21-19-15(2)22(3)23(20(19)24)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3
InChIKey
CYVGLYCDMQQRQJ-UHFFFAOYSA-N
Compound name
4-[(2-ethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 180.4
[M+Na]+ 358.15262 190.2
[M-H]- 334.15612 189.9
[M+NH4]+ 353.19722 193.9
[M+K]+ 374.12656 184.7
[M+H-H2O]+ 318.16066 169.9
[M+HCOO]- 380.16160 205.4
[M+CH3COO]- 394.17725 216.2
[M+Na-2H]- 356.13807 182.2
[M]+ 335.16285 185.1
[M]- 335.16395 185.1
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.