CID 27238

15382-85-1

Structural Information

Molecular Formula
C19H25NO3
SMILES
COC1=C(C=CC(=C1)N)OCCCCCOCC2=CC=CC=C2
InChI
InChI=1S/C19H25NO3/c1-21-19-14-17(20)10-11-18(19)23-13-7-3-6-12-22-15-16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13,15,20H2,1H3
InChIKey
KIAMIWBCBPMFDQ-UHFFFAOYSA-N
Compound name
3-methoxy-4-(5-phenylmethoxypentoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 176.5
[M+Na]+ 338.17266 181.6
[M-H]- 314.17616 181.9
[M+NH4]+ 333.21726 190.3
[M+K]+ 354.14660 177.9
[M+H-H2O]+ 298.18070 167.4
[M+HCOO]- 360.18164 200.2
[M+CH3COO]- 374.19729 209.6
[M+Na-2H]- 336.15811 179.7
[M]+ 315.18289 180.6
[M]- 315.18399 180.6
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.