CID 102908

Brn 2813331

Structural Information

Molecular Formula
C16H26N2O
SMILES
CCC(C)C(CCN(C)C)(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C16H26N2O/c1-5-13(2)16(15(17)19,11-12-18(3)4)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H2,17,19)
InChIKey
BROSADJFIKBHRF-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-phenylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.2045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 166.8
[M+Na]+ 285.19372 169.8
[M-H]- 261.19722 170.3
[M+NH4]+ 280.23832 183.0
[M+K]+ 301.16766 168.6
[M+H-H2O]+ 245.20176 159.6
[M+HCOO]- 307.20270 187.8
[M+CH3COO]- 321.21835 208.3
[M+Na-2H]- 283.17917 168.2
[M]+ 262.20395 166.9
[M]- 262.20505 166.9
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.