CID 3080380

128055-89-0

Structural Information

Molecular Formula
C16H25N5O5
SMILES
CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@@H]2CC(=O)N(C(=O)N2)C
InChI
InChI=1S/C16H25N5O5/c1-3-5-9(15(25)21-7-4-6-11(21)13(17)23)18-14(24)10-8-12(22)20(2)16(26)19-10/h9-11H,3-8H2,1-2H3,(H2,17,23)(H,18,24)(H,19,26)/t9-,10-,11-/m0/s1
InChIKey
WRMYQWTXKLJNBF-DCAQKATOSA-N
Compound name
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.18558 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19286 184.7
[M+Na]+ 390.17480 187.2
[M+NH4]+ 385.21940 185.4
[M+K]+ 406.14874 189.3
[M-H]- 366.17830 181.6
[M+Na-2H]- 388.16025 181.9
[M]+ 367.18503 182.9
[M]- 367.18613 182.9
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.