CID 7019673

75498-93-0

Structural Information

Molecular Formula
C16H25N3O6
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CN(C=N1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C16H25N3O6/c1-15(2,3)24-13(22)18-11(12(20)21)7-10-8-19(9-17-10)14(23)25-16(4,5)6/h8-9,11H,7H2,1-6H3,(H,18,22)(H,20,21)/t11-/m1/s1
InChIKey
IXHPIPUIOSSAIS-LLVKDONJSA-N
Compound name
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

772
Patents

355.17435 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18163 179.9
[M+Na]+ 378.16357 183.6
[M+NH4]+ 373.20817 180.8
[M+K]+ 394.13751 186.9
[M-H]- 354.16707 174.3
[M+Na-2H]- 376.14902 178.9
[M]+ 355.17380 178.0
[M]- 355.17490 178.0
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

patents stripe