CID 172877171

(3e)-3-[5-(5-hydroxy-1h-indol-3-yl)-2-oxo-1h-pyrrol-3-ylidene]-3a,7a-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C20H15N3O3
SMILES
C1=CC\2C(C=C1)NC(=O)/C2=C/3\C=C(NC3=O)C4=CNC5=C4C=C(C=C5)O
InChI
InChI=1S/C20H15N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,11,16,21,24H,(H,22,26)(H,23,25)/b18-13+
InChIKey
HJOLOZUJGCUSJA-QGOAFFKASA-N
Compound name
(3E)-3-[5-(5-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.11133 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11861 180.2
[M+Na]+ 368.10055 189.5
[M-H]- 344.10405 185.1
[M+NH4]+ 363.14515 194.1
[M+K]+ 384.07449 180.8
[M+H-H2O]+ 328.10859 173.4
[M+HCOO]- 390.10953 194.1
[M+CH3COO]- 404.12518 189.5
[M+Na-2H]- 366.08600 176.5
[M]+ 345.11078 175.5
[M]- 345.11188 175.5
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.