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

13
Patents

242.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.076416 151.1
[M+Na]+ 265.058358 163.3
[M-H]- 241.061864 155.7
[M+NH4]+ 260.102963 169.9
[M+K]+ 281.032298 158.1
[M+H-H2O]+ 225.066400 145.0
[M+HCOO]- 287.067341 172.6
[M+CH3COO]- 301.082991 164.6
[M+Na-2H]- 263.043806 153.0
[M]+ 242.06859142 152.6
[M]- 242.06968858 152.6
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