CID 3080376

128055-85-6

Structural Information

Molecular Formula
C19H27N7O5
SMILES
CN1CCC[C@H]1C(=O)N(C)C(=O)[C@H](CC2=CN=CN2)NC(=O)C3CC(=O)N(C(=O)N3)C
InChI
InChI=1S/C19H27N7O5/c1-24-6-4-5-14(24)18(30)26(3)17(29)13(7-11-9-20-10-21-11)22-16(28)12-8-15(27)25(2)19(31)23-12/h9-10,12-14H,4-8H2,1-3H3,(H,20,21)(H,22,28)(H,23,31)/t12?,13-,14-/m0/s1
InChIKey
AKYDUPRENMRLHD-TTZKSVMKSA-N
Compound name
N-[(2S)-3-(1H-imidazol-5-yl)-1-[methyl-[(2S)-1-methylpyrrolidine-2-carbonyl]amino]-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

433.20737 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.21465 199.2
[M+Na]+ 456.19659 200.0
[M-H]- 432.20009 201.6
[M+NH4]+ 451.24119 203.4
[M+K]+ 472.17053 198.2
[M+H-H2O]+ 416.20463 189.3
[M+HCOO]- 478.20557 208.9
[M+CH3COO]- 492.22122 231.0
[M+Na-2H]- 454.18204 191.2
[M]+ 433.20682 193.8
[M]- 433.20792 193.8
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.