CID 28538

17427-69-9

Structural Information

Molecular Formula
C28H28N2O3
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)OCCOCCOC3=CC=C(C=C3)NC4=CC=CC=C4
InChI
InChI=1S/C28H28N2O3/c1-3-7-23(8-4-1)29-25-11-15-27(16-12-25)32-21-19-31-20-22-33-28-17-13-26(14-18-28)30-24-9-5-2-6-10-24/h1-18,29-30H,19-22H2
InChIKey
DJBKEHXHHUXBGV-UHFFFAOYSA-N
Compound name
4-[2-[2-(4-anilinophenoxy)ethoxy]ethoxy]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

440.21 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.21728 205.8
[M+Na]+ 463.19922 208.1
[M-H]- 439.20272 216.6
[M+NH4]+ 458.24382 212.6
[M+K]+ 479.17316 202.0
[M+H-H2O]+ 423.20726 192.8
[M+HCOO]- 485.20820 229.9
[M+CH3COO]- 499.22385 213.4
[M+Na-2H]- 461.18467 210.9
[M]+ 440.20945 207.1
[M]- 440.21055 207.1
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