CID 212045

23824-39-7

Structural Information

Molecular Formula
C10H11NO5
SMILES
C1C(C2=CC(=C(C=C2C(C(=O)N1)O)O)O)O
InChI
InChI=1S/C10H11NO5/c12-6-1-4-5(2-7(6)13)9(15)10(16)11-3-8(4)14/h1-2,8-9,12-15H,3H2,(H,11,16)
InChIKey
BJYXVWFXFVSEGZ-UHFFFAOYSA-N
Compound name
1,5,7,8-tetrahydroxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06372 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07100 142.9
[M+Na]+ 248.05294 151.3
[M+NH4]+ 243.09754 147.7
[M+K]+ 264.02688 150.1
[M-H]- 224.05644 141.0
[M+Na-2H]- 246.03839 144.4
[M]+ 225.06317 143.2
[M]- 225.06427 143.2
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.