CID 3063800

Gea 982

Structural Information

Molecular Formula
C19H31N3O2
SMILES
CCN(CC)[C@@H](C)C(=O)NC(=O)[C@H](C)NC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C19H31N3O2/c1-7-22(8-2)15(4)18(24)20-17(23)14(3)21-19(5,6)16-12-10-9-11-13-16/h9-15,21H,7-8H2,1-6H3,(H,20,23,24)/t14-,15-/m0/s1
InChIKey
PXEVNNSRNZHMBU-GJZGRUSLSA-N
Compound name
(2S)-N-[(2S)-2-(diethylamino)propanoyl]-2-(2-phenylpropan-2-ylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.24164 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.24892 185.8
[M+Na]+ 356.23086 186.4
[M-H]- 332.23436 189.4
[M+NH4]+ 351.27546 198.8
[M+K]+ 372.20480 186.3
[M+H-H2O]+ 316.23890 177.8
[M+HCOO]- 378.23984 205.9
[M+CH3COO]- 392.25549 224.6
[M+Na-2H]- 354.21631 184.9
[M]+ 333.24109 186.6
[M]- 333.24219 186.6
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.