CID 52085

Hg-1371

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCCCOC1=CC=CC(=C1C(=O)NCCN2CCCC2)C
InChI
InChI=1S/C18H28N2O2/c1-3-4-14-22-16-9-7-8-15(2)17(16)18(21)19-10-13-20-11-5-6-12-20/h7-9H,3-6,10-14H2,1-2H3,(H,19,21)
InChIKey
JNNJDHMUGSZIGL-UHFFFAOYSA-N
Compound name
2-butoxy-6-methyl-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 176.4
[M+Na]+ 327.204318 179.9
[M-H]- 303.207824 180.5
[M+NH4]+ 322.248923 191.3
[M+K]+ 343.178258 176.5
[M+H-H2O]+ 287.212360 167.6
[M+HCOO]- 349.213301 196.6
[M+CH3COO]- 363.228951 207.8
[M+Na-2H]- 325.189766 175.6
[M]+ 304.21455142 176.7
[M]- 304.21564858 176.7
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.