CID 137130044

56208-37-8

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 166.8
[M+Na]+ 313.09475 179.3
[M-H]- 289.09825 173.5
[M+NH4]+ 308.13935 185.3
[M+K]+ 329.06869 172.9
[M+H-H2O]+ 273.10279 159.4
[M+HCOO]- 335.10373 188.8
[M+CH3COO]- 349.11938 179.8
[M+Na-2H]- 311.08020 169.7
[M]+ 290.10498 171.2
[M]- 290.10608 171.2
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

patents stripe