CID 21117328

Phohvzfzypepll-vifpvbqesa-n

Structural Information

Molecular Formula
C13H16N2O5
SMILES
C[C@@H](C(=O)O)NOC(=O)CNC(=O)CC1=CC=CC=C1
InChI
InChI=1S/C13H16N2O5/c1-9(13(18)19)15-20-12(17)8-14-11(16)7-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,14,16)(H,18,19)/t9-/m0/s1
InChIKey
PHOHVZFZYPEPLL-VIFPVBQESA-N
Compound name
(2S)-2-[[2-[(2-phenylacetyl)amino]acetyl]oxyamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10593 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.113206 163.0
[M+Na]+ 303.095148 165.9
[M-H]- 279.098654 164.5
[M+NH4]+ 298.139753 176.6
[M+K]+ 319.069088 165.3
[M+H-H2O]+ 263.103190 155.4
[M+HCOO]- 325.104131 184.4
[M+CH3COO]- 339.119781 201.1
[M+Na-2H]- 301.080596 164.4
[M]+ 280.10538142 163.2
[M]- 280.10647858 163.2
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.