CID 102939

Brn 1085216

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCC(C)C(CCN1CCOCC1)(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C18H28N2O2/c1-3-15(2)18(17(19)21,16-7-5-4-6-8-16)9-10-20-11-13-22-14-12-20/h4-8,15H,3,9-14H2,1-2H3,(H2,19,21)
InChIKey
WZRLTEAJABPZBF-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-morpholin-4-ylethyl)-2-phenylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.222376 176.6
[M+Na]+ 327.204318 177.6
[M-H]- 303.207824 180.1
[M+NH4]+ 322.248923 187.4
[M+K]+ 343.178258 175.8
[M+H-H2O]+ 287.212360 167.7
[M+HCOO]- 349.213301 190.5
[M+CH3COO]- 363.228951 207.4
[M+Na-2H]- 325.189766 178.2
[M]+ 304.21455142 172.6
[M]- 304.21564858 172.6
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.