CID 2859781

1,3-dihydro-3-(((2,3-dihydroxypropyl)amino)methylene)-2h-indol-2-one

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)C=NCC(CO)O
InChI
InChI=1S/C12H14N2O3/c15-7-8(16)5-13-6-10-9-3-1-2-4-11(9)14-12(10)17/h1-4,6,8,14-17H,5,7H2
InChIKey
UMFWINXUCGMJQB-UHFFFAOYSA-N
Compound name
3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

234.10045 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 150.2
[M+Na]+ 257.089668 158.1
[M-H]- 233.093174 150.0
[M+NH4]+ 252.134273 167.4
[M+K]+ 273.063608 153.5
[M+H-H2O]+ 217.097710 144.0
[M+HCOO]- 279.098651 170.9
[M+CH3COO]- 293.114301 185.6
[M+Na-2H]- 255.075116 155.0
[M]+ 234.09990142 150.0
[M]- 234.10099858 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.