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 186.0
[M+Na]+ 390.17480 187.8
[M-H]- 366.17830 186.2
[M+NH4]+ 385.21940 193.9
[M+K]+ 406.14874 185.7
[M+H-H2O]+ 350.18284 177.4
[M+HCOO]- 412.18378 197.3
[M+CH3COO]- 426.19943 219.8
[M+Na-2H]- 388.16025 178.9
[M]+ 367.18503 179.5
[M]- 367.18613 179.5
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

No patent data available for this compound.