CID 54723198

3-hydroxy-4-(1-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C13H10N2O3
SMILES
CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)O
InChI
InChI=1S/C13H10N2O3/c1-15-6-8(7-4-2-3-5-9(7)15)10-11(16)13(18)14-12(10)17/h2-6H,1H3,(H2,14,16,17,18)
InChIKey
OISDNEOLWOVHPD-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(1-methylindol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

242.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 151.1
[M+Na]+ 265.05836 163.3
[M-H]- 241.06186 155.7
[M+NH4]+ 260.10296 169.9
[M+K]+ 281.03230 158.1
[M+H-H2O]+ 225.06640 145.0
[M+HCOO]- 287.06734 172.6
[M+CH3COO]- 301.08299 164.6
[M+Na-2H]- 263.04381 153.0
[M]+ 242.06859 152.6
[M]- 242.06969 152.7
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

patents stripe