CID 135641956

634899-32-4

Structural Information

Molecular Formula
C25H24N4O3
SMILES
CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C25H24N4O3/c1-2-3-14-32-19-11-8-18(9-12-19)22-15-23(28-27-22)25(31)29-26-16-21-20-7-5-4-6-17(20)10-13-24(21)30/h4-13,15-16,30H,2-3,14H2,1H3,(H,27,28)(H,29,31)/b26-16+
InChIKey
XTBRGDPLHFRMSY-WGOQTCKBSA-N
Compound name
3-(4-butoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.18484 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.19212 206.0
[M+Na]+ 451.17406 219.5
[M+NH4]+ 446.21866 211.4
[M+K]+ 467.14800 213.0
[M-H]- 427.17756 211.4
[M+Na-2H]- 449.15951 214.1
[M]+ 428.18429 209.3
[M]- 428.18539 209.3
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.