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]+ 336.170676 180.4
[M+Na]+ 358.152618 190.2
[M-H]- 334.156124 189.9
[M+NH4]+ 353.197223 193.9
[M+K]+ 374.126558 184.7
[M+H-H2O]+ 318.160660 169.9
[M+HCOO]- 380.161601 205.4
[M+CH3COO]- 394.177251 216.2
[M+Na-2H]- 356.138066 182.2
[M]+ 335.16285142 185.1
[M]- 335.16394858 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.