CID 3050685

Brn 0947967

Structural Information

Molecular Formula
C23H25N3O5
SMILES
CCOC(=O)C1=C(C=CC(=C1OC)OC)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C23H25N3O5/c1-6-31-23(28)19-16(12-13-18(29-4)21(19)30-5)14-24-20-15(2)25(3)26(22(20)27)17-10-8-7-9-11-17/h7-14H,6H2,1-5H3
InChIKey
RPWFWMXMXQWUMI-UHFFFAOYSA-N
Compound name
ethyl 6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2,3-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1794 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.18668 201.1
[M+Na]+ 446.16862 210.4
[M-H]- 422.17212 211.0
[M+NH4]+ 441.21322 211.0
[M+K]+ 462.14256 206.8
[M+H-H2O]+ 406.17666 190.3
[M+HCOO]- 468.17760 224.7
[M+CH3COO]- 482.19325 233.5
[M+Na-2H]- 444.15407 199.3
[M]+ 423.17885 210.4
[M]- 423.17995 210.4
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.