CID 4106431

N,n'-bis-(4-butoxy-benzylidene)-benzene-1,4-diamine

Structural Information

Molecular Formula
C28H32N2O2
SMILES
CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)N=CC3=CC=C(C=C3)OCCCC
InChI
InChI=1S/C28H32N2O2/c1-3-5-19-31-27-15-7-23(8-16-27)21-29-25-11-13-26(14-12-25)30-22-24-9-17-28(18-10-24)32-20-6-4-2/h7-18,21-22H,3-6,19-20H2,1-2H3
InChIKey
JGPJVRJLTHAEQE-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)-N-[4-[(4-butoxyphenyl)methylideneamino]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

428.24637 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25365 210.2
[M+Na]+ 451.23559 214.1
[M-H]- 427.23909 220.9
[M+NH4]+ 446.28019 220.1
[M+K]+ 467.20953 208.1
[M+H-H2O]+ 411.24363 197.7
[M+HCOO]- 473.24457 236.5
[M+CH3COO]- 487.26022 239.0
[M+Na-2H]- 449.22104 212.4
[M]+ 428.24582 215.7
[M]- 428.24692 215.7
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