CID 381770

Nsc668842

Structural Information

Molecular Formula
C19H14N2O2
SMILES
CC1=C(C2=CC=CC=C2N1)C3=CC(=O)N(C3=O)C4=CC=CC=C4
InChI
InChI=1S/C19H14N2O2/c1-12-18(14-9-5-6-10-16(14)20-12)15-11-17(22)21(19(15)23)13-7-3-2-4-8-13/h2-11,20H,1H3
InChIKey
JJTLKPMPBAGFOR-UHFFFAOYSA-N
Compound name
3-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11281 169.6
[M+Na]+ 325.09475 181.0
[M-H]- 301.09825 178.3
[M+NH4]+ 320.13935 186.1
[M+K]+ 341.06869 174.0
[M+H-H2O]+ 285.10279 161.5
[M+HCOO]- 347.10373 191.6
[M+CH3COO]- 361.11938 182.1
[M+Na-2H]- 323.08020 170.4
[M]+ 302.10498 171.0
[M]- 302.10608 171.0
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

No patent data available for this compound.