CID 172877314

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

Structural Information

Molecular Formula
C20H15N3O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=C/C(=C\4/C5C=CC=CC5NC4=O)/C(=O)N3
InChI
InChI=1S/C20H15N3O2/c24-19-13(18-12-6-2-4-8-16(12)22-20(18)25)9-17(23-19)14-10-21-15-7-3-1-5-11(14)15/h1-10,12,16,21H,(H,22,25)(H,23,24)/b18-13+
InChIKey
PZJUFTANPASIHH-QGOAFFKASA-N
Compound name
(3E)-3-[5-(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

329.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12370 177.0
[M+Na]+ 352.10564 186.3
[M-H]- 328.10914 182.7
[M+NH4]+ 347.15024 192.1
[M+K]+ 368.07958 177.5
[M+H-H2O]+ 312.11368 169.6
[M+HCOO]- 374.11462 192.4
[M+CH3COO]- 388.13027 186.8
[M+Na-2H]- 350.09109 174.0
[M]+ 329.11587 172.2
[M]- 329.11697 172.2
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.