CID 91212

24679-02-5

Structural Information

Molecular Formula
C36H48N2O2
SMILES
CCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)N=CC3=CC=C(C=C3)OCCCCCCCC
InChI
InChI=1S/C36H48N2O2/c1-3-5-7-9-11-13-27-39-35-23-15-31(16-24-35)29-37-33-19-21-34(22-20-33)38-30-32-17-25-36(26-18-32)40-28-14-12-10-8-6-4-2/h15-26,29-30H,3-14,27-28H2,1-2H3
InChIKey
HCSQGZHPINRCAN-UHFFFAOYSA-N
Compound name
1-(4-octoxyphenyl)-N-[4-[(4-octoxyphenyl)methylideneamino]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

540.3716 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.37888 247.6
[M+Na]+ 563.36082 260.6
[M+NH4]+ 558.40542 253.5
[M+K]+ 579.33476 246.7
[M-H]- 539.36432 255.8
[M+Na-2H]- 561.34627 256.1
[M]+ 540.37105 251.9
[M]- 540.37215 251.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe