CID 6877880

634899-37-9

Structural Information

Molecular Formula
C23H26N4O4
SMILES
CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C23H26N4O4/c1-4-5-12-31-18-9-7-17(8-10-18)19-14-20(26-25-19)23(28)27-24-15-16-6-11-21(29-2)22(13-16)30-3/h6-11,13-15H,4-5,12H2,1-3H3,(H,25,26)(H,27,28)/b24-15+
InChIKey
DHPZTZDVYIBHPF-BUVRLJJBSA-N
Compound name
3-(4-butoxyphenyl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1954 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20268 201.4
[M+Na]+ 445.18462 206.5
[M-H]- 421.18812 208.7
[M+NH4]+ 440.22922 209.5
[M+K]+ 461.15856 201.9
[M+H-H2O]+ 405.19266 189.8
[M+HCOO]- 467.19360 224.3
[M+CH3COO]- 481.20925 231.0
[M+Na-2H]- 443.17007 202.1
[M]+ 422.19485 206.2
[M]- 422.19595 206.2
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.