CID 3551920

N,n'-bis(4-pentyloxybenzylidene)-1,4-phenylenediamine

Structural Information

Molecular Formula
C30H36N2O2
SMILES
CCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)N=CC3=CC=C(C=C3)OCCCCC
InChI
InChI=1S/C30H36N2O2/c1-3-5-7-21-33-29-17-9-25(10-18-29)23-31-27-13-15-28(16-14-27)32-24-26-11-19-30(20-12-26)34-22-8-6-4-2/h9-20,23-24H,3-8,21-22H2,1-2H3
InChIKey
RYUJOFVIJPUISY-UHFFFAOYSA-N
Compound name
1-(4-pentoxyphenyl)-N-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

456.27768 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.28496 219.0
[M+Na]+ 479.26690 221.9
[M-H]- 455.27040 229.2
[M+NH4]+ 474.31150 227.7
[M+K]+ 495.24084 215.6
[M+H-H2O]+ 439.27494 206.0
[M+HCOO]- 501.27588 244.6
[M+CH3COO]- 515.29153 244.7
[M+Na-2H]- 477.25235 220.1
[M]+ 456.27713 225.1
[M]- 456.27823 225.1
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

patents stripe