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]+ 235.10773 150.2
[M+Na]+ 257.08967 158.1
[M-H]- 233.09317 150.0
[M+NH4]+ 252.13427 167.4
[M+K]+ 273.06361 153.5
[M+H-H2O]+ 217.09771 144.0
[M+HCOO]- 279.09865 170.9
[M+CH3COO]- 293.11430 185.6
[M+Na-2H]- 255.07512 155.0
[M]+ 234.09990 150.0
[M]- 234.10100 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.