CID 2848823

1353749-74-2

Structural Information

Molecular Formula
C10H13N3O5
SMILES
C1=CC(=C(C(=C1C=NNC(=O)C(CO)N)O)O)O
InChI
InChI=1S/C10H13N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-3,6,14-17H,4,11H2,(H,13,18)
InChIKey
ZYTUVQILDHABLA-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxy-N-[(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

255.08553 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09281 153.8
[M+Na]+ 278.07475 159.2
[M-H]- 254.07825 153.5
[M+NH4]+ 273.11935 167.5
[M+K]+ 294.04869 157.2
[M+H-H2O]+ 238.08279 147.0
[M+HCOO]- 300.08373 175.2
[M+CH3COO]- 314.09938 195.8
[M+Na-2H]- 276.06020 155.3
[M]+ 255.08498 150.6
[M]- 255.08608 150.6
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

patents stripe