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]+ 328.227096 182.6
[M+Na]+ 350.209038 186.9
[M-H]- 326.212544 187.6
[M+NH4]+ 345.253643 196.0
[M+K]+ 366.182978 182.1
[M+H-H2O]+ 310.217080 173.4
[M+HCOO]- 372.218021 205.3
[M+CH3COO]- 386.233671 213.5
[M+Na-2H]- 348.194486 184.6
[M]+ 327.21927142 185.9
[M]- 327.22036858 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.