CID 3061534

79438-12-3

Structural Information

Molecular Formula
C17H21N7O5
SMILES
CN1C(=O)C=C(NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N
InChI
InChI=1S/C17H21N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h6-8,11-12H,2-5H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t11-,12-/m0/s1
InChIKey
MENMQXOWQAPYTE-RYUDHWBXSA-N
Compound name
N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.16043 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16771 189.3
[M+Na]+ 426.14965 193.4
[M-H]- 402.15315 191.5
[M+NH4]+ 421.19425 194.0
[M+K]+ 442.12359 189.8
[M+H-H2O]+ 386.15769 179.3
[M+HCOO]- 448.15863 202.7
[M+CH3COO]- 462.17428 221.6
[M+Na-2H]- 424.13510 184.4
[M]+ 403.15988 185.1
[M]- 403.16098 185.1
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.