CID 202864

Hg-1464

Structural Information

Molecular Formula
C21H34N2O2
SMILES
CCCCCCCCOC1=CC=CC=C1C(=O)NCCN2CCCC2
InChI
InChI=1S/C21H34N2O2/c1-2-3-4-5-6-11-18-25-20-13-8-7-12-19(20)21(24)22-14-17-23-15-9-10-16-23/h7-8,12-13H,2-6,9-11,14-18H2,1H3,(H,22,24)
InChIKey
JMRMYFJITAUXHZ-UHFFFAOYSA-N
Compound name
2-octoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.26202 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26930 190.6
[M+Na]+ 369.25124 198.8
[M+NH4]+ 364.29584 196.7
[M+K]+ 385.22518 192.7
[M-H]- 345.25474 193.0
[M+Na-2H]- 367.23669 194.3
[M]+ 346.26147 192.1
[M]- 346.26257 192.1
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.