CID 18390

Brn 2812448

Structural Information

Molecular Formula
C16H27N3O
SMILES
CN(C)CCC(CCN(C)C)(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C16H27N3O/c1-18(2)12-10-16(15(17)20,11-13-19(3)4)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3,(H2,17,20)
InChIKey
GAMSVHKCGRVPPR-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.21542 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.22270 170.5
[M+Na]+ 300.20464 173.0
[M-H]- 276.20814 175.3
[M+NH4]+ 295.24924 186.4
[M+K]+ 316.17858 172.7
[M+H-H2O]+ 260.21268 162.4
[M+HCOO]- 322.21362 193.9
[M+CH3COO]- 336.22927 215.9
[M+Na-2H]- 298.19009 172.7
[M]+ 277.21487 171.7
[M]- 277.21597 171.7
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.