CID 3063799

Gea 981

Structural Information

Molecular Formula
C18H29N3O2
SMILES
CCN(CC)CC(=O)NC(=O)[C@H](C)NC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C18H29N3O2/c1-6-21(7-2)13-16(22)19-17(23)14(3)20-18(4,5)15-11-9-8-10-12-15/h8-12,14,20H,6-7,13H2,1-5H3,(H,19,22,23)/t14-/m0/s1
InChIKey
CGXJUYMOSFIBKP-AWEZNQCLSA-N
Compound name
(2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.22598 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.233256 181.4
[M+Na]+ 342.215198 182.7
[M-H]- 318.218704 185.2
[M+NH4]+ 337.259803 195.1
[M+K]+ 358.189138 182.1
[M+H-H2O]+ 302.223240 173.4
[M+HCOO]- 364.224181 202.8
[M+CH3COO]- 378.239831 220.7
[M+Na-2H]- 340.200646 182.2
[M]+ 319.22543142 182.5
[M]- 319.22652858 182.5
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

patents stripe