CID 27232

M-anisidine, 4-((7-phenylheptyl)oxy)-

Structural Information

Molecular Formula
C20H27NO2
SMILES
COC1=C(C=CC(=C1)N)OCCCCCCCC2=CC=CC=C2
InChI
InChI=1S/C20H27NO2/c1-22-20-16-18(21)13-14-19(20)23-15-9-4-2-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-14,16H,2-4,6,9-10,15,21H2,1H3
InChIKey
UEGAQGKWTVLZBL-UHFFFAOYSA-N
Compound name
3-methoxy-4-(7-phenylheptoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.211476 178.1
[M+Na]+ 336.193418 182.9
[M-H]- 312.196924 183.3
[M+NH4]+ 331.238023 192.0
[M+K]+ 352.167358 178.3
[M+H-H2O]+ 296.201460 169.1
[M+HCOO]- 358.202401 201.2
[M+CH3COO]- 372.218051 210.6
[M+Na-2H]- 334.178866 180.7
[M]+ 313.20365142 181.1
[M]- 313.20474858 181.1
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.