CID 3042490

59760-05-3

Structural Information

Molecular Formula
C16H21N7O5
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CC(=O)NC(=O)N3)C(=O)N
InChI
InChI=1S/C16H21N7O5/c17-13(25)11-2-1-3-23(11)15(27)10(4-8-6-18-7-19-8)20-14(26)9-5-12(24)22-16(28)21-9/h6-7,9-11H,1-5H2,(H2,17,25)(H,18,19)(H,20,26)(H2,21,22,24,28)/t9-,10-,11-/m0/s1
InChIKey
WFINBZNSRRTHQC-DCAQKATOSA-N
Compound name
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1,3-diazinane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.16043 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16771 185.0
[M+Na]+ 414.14965 186.6
[M+NH4]+ 409.19425 184.4
[M+K]+ 430.12359 192.1
[M-H]- 390.15315 181.6
[M+Na-2H]- 412.13510 183.4
[M]+ 391.15988 182.8
[M]- 391.16098 182.8
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.