CID 202377

Hg-1581

Structural Information

Molecular Formula
C20H32N2O2
SMILES
CCCCCCCOC1=CC=CC=C1C(=O)NCCN2CCCC2
InChI
InChI=1S/C20H32N2O2/c1-2-3-4-5-10-17-24-19-12-7-6-11-18(19)20(23)21-13-16-22-14-8-9-15-22/h6-7,11-12H,2-5,8-10,13-17H2,1H3,(H,21,23)
InChIKey
AJWZNYCVZZCFNV-UHFFFAOYSA-N
Compound name
2-heptoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.24637 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.25365 185.2
[M+Na]+ 355.23559 186.8
[M-H]- 331.23909 188.5
[M+NH4]+ 350.28019 198.6
[M+K]+ 371.20953 182.9
[M+H-H2O]+ 315.24363 175.6
[M+HCOO]- 377.24457 204.7
[M+CH3COO]- 391.26022 212.6
[M+Na-2H]- 353.22104 184.1
[M]+ 332.24582 185.8
[M]- 332.24692 185.8
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.