CID 360289

Nsc622324

Structural Information

Molecular Formula
C19H16N2O3
SMILES
CC1=C(C2=CC=CC=C2N1)C(=O)CC3(C4=CC=CC=C4NC3=O)O
InChI
InChI=1S/C19H16N2O3/c1-11-17(12-6-2-4-8-14(12)20-11)16(22)10-19(24)13-7-3-5-9-15(13)21-18(19)23/h2-9,20,24H,10H2,1H3,(H,21,23)
InChIKey
JGAKLIFHUBFLPQ-UHFFFAOYSA-N
Compound name
3-hydroxy-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12338 174.8
[M+Na]+ 343.10532 184.9
[M-H]- 319.10882 178.4
[M+NH4]+ 338.14992 192.1
[M+K]+ 359.07926 177.6
[M+H-H2O]+ 303.11336 168.0
[M+HCOO]- 365.11430 191.4
[M+CH3COO]- 379.12995 185.4
[M+Na-2H]- 341.09077 176.4
[M]+ 320.11555 174.7
[M]- 320.11665 174.7
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.