CID 27233

15382-78-2

Structural Information

Molecular Formula
C21H29NO2
SMILES
COC1=C(C=CC(=C1)N)OCCCCCCCCC2=CC=CC=C2
InChI
InChI=1S/C21H29NO2/c1-23-21-17-19(22)14-15-20(21)24-16-10-5-3-2-4-7-11-18-12-8-6-9-13-18/h6,8-9,12-15,17H,2-5,7,10-11,16,22H2,1H3
InChIKey
VVHGKLSPTRDFLF-UHFFFAOYSA-N
Compound name
3-methoxy-4-(8-phenyloctoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.21982 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22710 182.6
[M+Na]+ 350.20904 186.9
[M-H]- 326.21254 187.6
[M+NH4]+ 345.25364 196.0
[M+K]+ 366.18298 182.1
[M+H-H2O]+ 310.21708 173.4
[M+HCOO]- 372.21802 205.3
[M+CH3COO]- 386.23367 213.5
[M+Na-2H]- 348.19449 184.6
[M]+ 327.21927 185.9
[M]- 327.22037 185.9
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.