CID 59466

Aniline, p-(5-(p-phenoxyphenoxy)pentyloxy)-

Structural Information

Molecular Formula
C23H25NO3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCCCCOC3=CC=C(C=C3)N
InChI
InChI=1S/C23H25NO3/c24-19-9-11-20(12-10-19)25-17-5-2-6-18-26-21-13-15-23(16-14-21)27-22-7-3-1-4-8-22/h1,3-4,7-16H,2,5-6,17-18,24H2
InChIKey
NNZUFNZPSQFQGP-UHFFFAOYSA-N
Compound name
4-[5-(4-phenoxyphenoxy)pentoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.190716 188.7
[M+Na]+ 386.172658 193.2
[M-H]- 362.176164 196.9
[M+NH4]+ 381.217263 199.8
[M+K]+ 402.146598 188.1
[M+H-H2O]+ 346.180700 178.0
[M+HCOO]- 408.181641 212.1
[M+CH3COO]- 422.197291 217.5
[M+Na-2H]- 384.158106 192.3
[M]+ 363.18289142 191.2
[M]- 363.18398858 191.2
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.