CID 59705

102759-19-3

Structural Information

Molecular Formula
C21H29NO2
SMILES
CNC1=CC=C(C=C1)OCCCCCCCCOC2=CC=CC=C2
InChI
InChI=1S/C21H29NO2/c1-22-19-13-15-21(16-14-19)24-18-10-5-3-2-4-9-17-23-20-11-7-6-8-12-20/h6-8,11-16,22H,2-5,9-10,17-18H2,1H3
InChIKey
ZIOSLEJHBGKWMR-UHFFFAOYSA-N
Compound name
N-methyl-4-(8-phenoxyoctoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.21982 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22710 183.6
[M+Na]+ 350.20904 196.3
[M+NH4]+ 345.25364 191.4
[M+K]+ 366.18298 186.4
[M-H]- 326.21254 188.7
[M+Na-2H]- 348.19449 191.9
[M]+ 327.21927 186.9
[M]- 327.22037 186.9
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.