CID 202379

Hg-1436

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCCCCOC1=CC=CC=C1C(=O)NCCN2CCCC2
InChI
InChI=1S/C18H28N2O2/c1-2-3-8-15-22-17-10-5-4-9-16(17)18(21)19-11-14-20-12-6-7-13-20/h4-5,9-10H,2-3,6-8,11-15H2,1H3,(H,19,21)
InChIKey
GAQZLOQZHCLOQJ-UHFFFAOYSA-N
Compound name
2-pentoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.222376 176.3
[M+Na]+ 327.204318 178.8
[M-H]- 303.207824 180.0
[M+NH4]+ 322.248923 190.9
[M+K]+ 343.178258 175.4
[M+H-H2O]+ 287.212360 167.2
[M+HCOO]- 349.213301 196.5
[M+CH3COO]- 363.228951 206.6
[M+Na-2H]- 325.189766 176.2
[M]+ 304.21455142 176.2
[M]- 304.21564858 176.2
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.