CID 27238

M-anisidine, 4-((5-(benzyloxy)pentyl)oxy)-, methanesulfonate

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]+ 316.190716 176.5
[M+Na]+ 338.172658 181.6
[M-H]- 314.176164 181.9
[M+NH4]+ 333.217263 190.3
[M+K]+ 354.146598 177.9
[M+H-H2O]+ 298.180700 167.4
[M+HCOO]- 360.181641 200.2
[M+CH3COO]- 374.197291 209.6
[M+Na-2H]- 336.158106 179.7
[M]+ 315.18289142 180.6
[M]- 315.18398858 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.