CID 4251420

Bis(4'-n-pentyloxybenzal)-2-chloro-1,4-phenylenediamine

Structural Information

Molecular Formula
C30H35ClN2O2
SMILES
CCCCCOC1=CC=C(C=C1)C=NC2=CC(=C(C=C2)N=CC3=CC=C(C=C3)OCCCCC)Cl
InChI
InChI=1S/C30H35ClN2O2/c1-3-5-7-19-34-27-14-9-24(10-15-27)22-32-26-13-18-30(29(31)21-26)33-23-25-11-16-28(17-12-25)35-20-8-6-4-2/h9-18,21-23H,3-8,19-20H2,1-2H3
InChIKey
YQLPULFVUJRTHY-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-[(4-pentoxyphenyl)methylideneamino]phenyl]-1-(4-pentoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

37
Patents

490.2387 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.24598 227.7
[M+Na]+ 513.22792 232.5
[M-H]- 489.23142 238.1
[M+NH4]+ 508.27252 236.3
[M+K]+ 529.20186 224.5
[M+H-H2O]+ 473.23596 215.5
[M+HCOO]- 535.23690 248.7
[M+CH3COO]- 549.25255 249.2
[M+Na-2H]- 511.21337 227.5
[M]+ 490.23815 236.8
[M]- 490.23925 236.8
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.