CID 3080377

128055-86-7

Structural Information

Molecular Formula
C18H25N7O5
SMILES
CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCCC[C@H]3C(=O)N
InChI
InChI=1S/C18H25N7O5/c1-24-14(26)7-11(23-18(24)30)16(28)22-12(6-10-8-20-9-21-10)17(29)25-5-3-2-4-13(25)15(19)27/h8-9,11-13H,2-7H2,1H3,(H2,19,27)(H,20,21)(H,22,28)(H,23,30)/t11-,12-,13-/m0/s1
InChIKey
KSIPWARQLVLPAI-AVGNSLFASA-N
Compound name
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-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

419.1917 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.19898 196.7
[M+Na]+ 442.18092 197.1
[M-H]- 418.18442 196.3
[M+NH4]+ 437.22552 198.4
[M+K]+ 458.15486 193.4
[M+H-H2O]+ 402.18896 186.1
[M+HCOO]- 464.18990 203.1
[M+CH3COO]- 478.20555 226.4
[M+Na-2H]- 440.16637 190.2
[M]+ 419.19115 186.6
[M]- 419.19225 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.