CID 137130044

Disperse yellow 39 surrogate

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CCN1C2=CC=CC=C2C(=C1O)C3=NC(=O)C4=CC=CC=C43
InChI
InChI=1S/C18H14N2O2/c1-2-20-14-10-6-5-9-13(14)15(18(20)22)16-11-7-3-4-8-12(11)17(21)19-16/h3-10,22H,2H2,1H3
InChIKey
KGZGXZIQLRICLZ-UHFFFAOYSA-N
Compound name
3-(1-ethyl-2-hydroxyindol-3-yl)isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.10553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 166.7
[M+Na]+ 313.09475 182.6
[M+NH4]+ 308.13935 175.3
[M+K]+ 329.06869 178.2
[M-H]- 289.09825 170.4
[M+Na-2H]- 311.08020 173.5
[M]+ 290.10498 170.1
[M]- 290.10608 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

patents stripe