CID 27227

M-anisidine, 4-(3-phenylpropoxy)-

Structural Information

Molecular Formula
C16H19NO2
SMILES
COC1=C(C=CC(=C1)N)OCCCC2=CC=CC=C2
InChI
InChI=1S/C16H19NO2/c1-18-16-12-14(17)9-10-15(16)19-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11,17H2,1H3
InChIKey
BTYJAJMSSTUCIJ-UHFFFAOYSA-N
Compound name
3-methoxy-4-(3-phenylpropoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 159.8
[M+Na]+ 280.130788 166.5
[M-H]- 256.134294 165.9
[M+NH4]+ 275.175393 176.2
[M+K]+ 296.104728 162.8
[M+H-H2O]+ 240.138830 151.7
[M+HCOO]- 302.139771 184.4
[M+CH3COO]- 316.155421 198.6
[M+Na-2H]- 278.116236 164.7
[M]+ 257.14102142 161.5
[M]- 257.14211858 161.5
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.