CID 135570655

2-(2-cyano-3-amino-3-(beta,gamma-dihydroxypropylamino)prop-2-enylidene)indolin-3-one

Structural Information

Molecular Formula
C15H16N4O3
SMILES
C1=CC=C2C(=C1)C(=C(N2)/C=C(/C#N)\C(=NCC(CO)O)N)O
InChI
InChI=1S/C15H16N4O3/c16-6-9(15(17)18-7-10(21)8-20)5-13-14(22)11-3-1-2-4-12(11)19-13/h1-5,10,19-22H,7-8H2,(H2,17,18)/b9-5-
InChIKey
PHSPGARALYSMGS-UITAMQMPSA-N
Compound name
(Z)-2-cyano-N'-(2,3-dihydroxypropyl)-3-(3-hydroxy-1H-indol-2-yl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.12225 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 173.1
[M+Na]+ 323.11147 179.7
[M+NH4]+ 318.15607 173.9
[M+K]+ 339.08541 174.8
[M-H]- 299.11497 164.6
[M+Na-2H]- 321.09692 171.5
[M]+ 300.12170 170.1
[M]- 300.12280 170.1
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.