CID 635718

Bis(p-heptyloxybenzylidene) p-phenylenediamine

Structural Information

Molecular Formula
C34H44N2O2
SMILES
CCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)N=CC3=CC=C(C=C3)OCCCCCCC
InChI
InChI=1S/C34H44N2O2/c1-3-5-7-9-11-25-37-33-21-13-29(14-22-33)27-35-31-17-19-32(20-18-31)36-28-30-15-23-34(24-16-30)38-26-12-10-8-6-4-2/h13-24,27-28H,3-12,25-26H2,1-2H3
InChIKey
FSYMJESEMBZVIC-UHFFFAOYSA-N
Compound name
1-(4-heptoxyphenyl)-N-[4-[(4-heptoxyphenyl)methylideneamino]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

512.3403 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.34758 238.8
[M+Na]+ 535.32952 252.2
[M+NH4]+ 530.37412 245.1
[M+K]+ 551.30346 238.8
[M-H]- 511.33302 247.1
[M+Na-2H]- 533.31497 247.8
[M]+ 512.33975 243.2
[M]- 512.34085 243.2
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