CID 441124

Amidinoproclavaminate

Structural Information

Molecular Formula
C9H16N4O4
SMILES
C1CN(C1=O)[C@@H]([C@@H](CCN=C(N)N)O)C(=O)O
InChI
InChI=1S/C9H16N4O4/c10-9(11)12-3-1-5(14)7(8(16)17)13-4-2-6(13)15/h5,7,14H,1-4H2,(H,16,17)(H4,10,11,12)/t5-,7+/m1/s1
InChIKey
MPNWPLYZGCKKFY-VDTYLAMSSA-N
Compound name
(2S,3R)-5-(diaminomethylideneamino)-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

244.11716 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12444 164.7
[M+Na]+ 267.10638 164.9
[M-H]- 243.10988 163.5
[M+NH4]+ 262.15098 170.9
[M+K]+ 283.08032 168.4
[M+H-H2O]+ 227.11442 149.9
[M+HCOO]- 289.11536 181.3
[M+CH3COO]- 303.13101 201.5
[M+Na-2H]- 265.09183 161.1
[M]+ 244.11661 167.6
[M]- 244.11771 167.6
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.