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]+ 364.19072 188.7
[M+Na]+ 386.17266 193.2
[M-H]- 362.17616 196.9
[M+NH4]+ 381.21726 199.8
[M+K]+ 402.14660 188.1
[M+H-H2O]+ 346.18070 178.0
[M+HCOO]- 408.18164 212.1
[M+CH3COO]- 422.19729 217.5
[M+Na-2H]- 384.15811 192.3
[M]+ 363.18289 191.2
[M]- 363.18399 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.