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

0
Patents

319.22598 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23326 181.4
[M+Na]+ 342.21520 182.7
[M-H]- 318.21870 185.2
[M+NH4]+ 337.25980 195.1
[M+K]+ 358.18914 182.1
[M+H-H2O]+ 302.22324 173.4
[M+HCOO]- 364.22418 202.8
[M+CH3COO]- 378.23983 220.7
[M+Na-2H]- 340.20065 182.2
[M]+ 319.22543 182.5
[M]- 319.22653 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