CID 9877762

221905-22-2

Structural Information

Molecular Formula
C12H8N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CC(=O)NC3=O
InChI
InChI=1S/C12H8N2O2/c15-11-5-8(12(16)14-11)9-6-13-10-4-2-1-3-7(9)10/h1-6,13H,(H,14,15,16)
InChIKey
NTNCGNYCVKZAAH-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

73
Patents

212.05858 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06586 143.6
[M+Na]+ 235.04780 154.7
[M-H]- 211.05130 147.5
[M+NH4]+ 230.09240 163.1
[M+K]+ 251.02174 149.0
[M+H-H2O]+ 195.05584 137.1
[M+HCOO]- 257.05678 165.3
[M+CH3COO]- 271.07243 156.9
[M+Na-2H]- 233.03325 147.2
[M]+ 212.05803 142.5
[M]- 212.05913 142.6
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

patents stripe