CID 18108

Brn 2809206

Structural Information

Molecular Formula
C15H24N2O
SMILES
CC(C)C(CCN(C)C)(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C15H24N2O/c1-12(2)15(14(16)18,10-11-17(3)4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H2,16,18)
InChIKey
YBLZYROLKJTYHF-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.18886 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.19614 162.1
[M+Na]+ 271.17808 165.6
[M-H]- 247.18158 165.9
[M+NH4]+ 266.22268 179.0
[M+K]+ 287.15202 164.6
[M+H-H2O]+ 231.18612 155.1
[M+HCOO]- 293.18706 183.5
[M+CH3COO]- 307.20271 205.3
[M+Na-2H]- 269.16353 164.1
[M]+ 248.18831 161.9
[M]- 248.18941 161.9
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.