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]+ 424.186676 201.1
[M+Na]+ 446.168618 210.4
[M-H]- 422.172124 211.0
[M+NH4]+ 441.213223 211.0
[M+K]+ 462.142558 206.8
[M+H-H2O]+ 406.176660 190.3
[M+HCOO]- 468.177601 224.7
[M+CH3COO]- 482.193251 233.5
[M+Na-2H]- 444.154066 199.3
[M]+ 423.17885142 210.4
[M]- 423.17994858 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.