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

36
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

literature stripe

Patent stripe

patents stripe