CID 3050686

Brn 0946363

Structural Information

Molecular Formula
C22H23N3O5
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C(=C(C=C3)OC)OC)C(=O)OC
InChI
InChI=1S/C22H23N3O5/c1-14-19(21(26)25(24(14)2)16-9-7-6-8-10-16)23-13-15-11-12-17(28-3)20(29-4)18(15)22(27)30-5/h6-13H,1-5H3
InChIKey
YANHHLULMYLYHW-UHFFFAOYSA-N
Compound name
methyl 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

409.16376 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17104 198.5
[M+Na]+ 432.15298 212.3
[M+NH4]+ 427.19758 202.9
[M+K]+ 448.12692 207.9
[M-H]- 408.15648 202.3
[M+Na-2H]- 430.13843 205.1
[M]+ 409.16321 201.4
[M]- 409.16431 201.4
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.