CID 3403251

N,n'-bis-(4-hexyloxybenzylidene)-2-chloro-1,4-phenylenediamine

Structural Information

Molecular Formula
C32H39ClN2O2
SMILES
CCCCCCOC1=CC=C(C=C1)C=NC2=CC(=C(C=C2)N=CC3=CC=C(C=C3)OCCCCCC)Cl
InChI
InChI=1S/C32H39ClN2O2/c1-3-5-7-9-21-36-29-16-11-26(12-17-29)24-34-28-15-20-32(31(33)23-28)35-25-27-13-18-30(19-14-27)37-22-10-8-6-4-2/h11-20,23-25H,3-10,21-22H2,1-2H3
InChIKey
BNYXPXVYAZRGLU-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-[(4-hexoxyphenyl)methylideneamino]phenyl]-1-(4-hexoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

518.27 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.27728 236.4
[M+Na]+ 541.25922 240.3
[M-H]- 517.26272 246.4
[M+NH4]+ 536.30382 243.8
[M+K]+ 557.23316 231.9
[M+H-H2O]+ 501.26726 223.7
[M+HCOO]- 563.26820 256.7
[M+CH3COO]- 577.28385 254.9
[M+Na-2H]- 539.24467 235.1
[M]+ 518.26945 246.1
[M]- 518.27055 246.1
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