CID 60694

119299-66-0

Structural Information

Molecular Formula
C21H28N2O3
SMILES
COCCNC1=CC=C(C=C1)OCCCCCNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H28N2O3/c1-25-17-15-22-19-10-12-20(13-11-19)26-16-7-3-6-14-23-21(24)18-8-4-2-5-9-18/h2,4-5,8-13,22H,3,6-7,14-17H2,1H3,(H,23,24)
InChIKey
LXJSNTGEECHGAJ-UHFFFAOYSA-N
Compound name
N-[5-[4-(2-methoxyethylamino)phenoxy]pentyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.217276 187.3
[M+Na]+ 379.199218 189.6
[M-H]- 355.202724 192.5
[M+NH4]+ 374.243823 198.8
[M+K]+ 395.173158 185.8
[M+H-H2O]+ 339.207260 177.3
[M+HCOO]- 401.208201 211.1
[M+CH3COO]- 415.223851 219.5
[M+Na-2H]- 377.184666 190.5
[M]+ 356.20945142 190.5
[M]- 356.21054858 190.5
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.