CID 60196

107779-32-8

Structural Information

Molecular Formula
C18H23NO3
SMILES
COC1=C(C=CC(=C1)N)OCCCCCOC2=CC=CC=C2
InChI
InChI=1S/C18H23NO3/c1-20-18-14-15(19)10-11-17(18)22-13-7-3-6-12-21-16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13,19H2,1H3
InChIKey
PGVJKMZFCSVYHF-UHFFFAOYSA-N
Compound name
3-methoxy-4-(5-phenoxypentoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 172.0
[M+Na]+ 324.15702 177.5
[M-H]- 300.16052 177.6
[M+NH4]+ 319.20162 186.4
[M+K]+ 340.13096 174.0
[M+H-H2O]+ 284.16506 163.1
[M+HCOO]- 346.16600 196.0
[M+CH3COO]- 360.18165 206.7
[M+Na-2H]- 322.14247 175.7
[M]+ 301.16725 175.7
[M]- 301.16835 175.7
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