CID 162345208

Ns00133491

Structural Information

Molecular Formula
C11H15N3O5
SMILES
C1=C(C=C(C(=C1C(=O)N)O)N)C(=O)NC(CO)CO
InChI
InChI=1S/C11H15N3O5/c12-8-2-5(1-7(9(8)17)10(13)18)11(19)14-6(3-15)4-16/h1-2,6,15-17H,3-4,12H2,(H2,13,18)(H,14,19)
InChIKey
IKSRMRYMHGMSOM-UHFFFAOYSA-N
Compound name
5-amino-1-N-(1,3-dihydroxypropan-2-yl)-4-hydroxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.10117 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.108446 159.1
[M+Na]+ 292.090388 163.7
[M-H]- 268.093894 158.1
[M+NH4]+ 287.134993 171.8
[M+K]+ 308.064328 161.9
[M+H-H2O]+ 252.098430 152.2
[M+HCOO]- 314.099371 178.5
[M+CH3COO]- 328.115021 200.1
[M+Na-2H]- 290.075836 157.7
[M]+ 269.10062142 154.6
[M]- 269.10171858 154.6
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.