CID 9611250

767305-50-0

Structural Information

Molecular Formula
C28H39ClN2O3
SMILES
CCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OCC2=CC=C(C=C2)Cl)OCC
InChI
InChI=1S/C28H39ClN2O3/c1-3-5-6-7-8-9-10-11-12-13-28(32)31-30-21-24-16-19-26(27(20-24)33-4-2)34-22-23-14-17-25(29)18-15-23/h14-21H,3-13,22H2,1-2H3,(H,31,32)/b30-21+
InChIKey
ABRPZXHNSXVVQX-MWAVMZGNSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.26492 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.27220 225.7
[M+Na]+ 509.25414 228.4
[M-H]- 485.25764 231.5
[M+NH4]+ 504.29874 234.1
[M+K]+ 525.22808 221.6
[M+H-H2O]+ 469.26218 215.2
[M+HCOO]- 531.26312 244.2
[M+CH3COO]- 545.27877 246.9
[M+Na-2H]- 507.23959 223.6
[M]+ 486.26437 235.5
[M]- 486.26547 235.5
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.