CID 9627888

307975-88-8

Structural Information

Molecular Formula
C28H34N4O3
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C=C/C3=CC=CC=C3OC
InChI
InChI=1S/C28H34N4O3/c1-3-4-5-6-7-10-20-35-24-17-15-22(16-18-24)25-21-26(31-30-25)28(33)32-29-19-11-13-23-12-8-9-14-27(23)34-2/h8-9,11-19,21H,3-7,10,20H2,1-2H3,(H,30,31)(H,32,33)/b13-11+,29-19+
InChIKey
SXILHIMFFYRIBV-OASJQLOTSA-N
Compound name
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.2631 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.27038 219.1
[M+Na]+ 497.25232 221.6
[M-H]- 473.25582 225.0
[M+NH4]+ 492.29692 224.8
[M+K]+ 513.22626 214.6
[M+H-H2O]+ 457.26036 206.5
[M+HCOO]- 519.26130 240.3
[M+CH3COO]- 533.27695 240.7
[M+Na-2H]- 495.23777 217.8
[M]+ 474.26255 223.0
[M]- 474.26365 223.0
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.