CID 4091730

91680-07-8

Structural Information

Molecular Formula
C19H14N2O2
SMILES
CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)CC4=CC=CC=C4
InChI
InChI=1S/C19H14N2O2/c1-12-16-17(14-9-5-6-10-15(14)20-12)19(23)21(18(16)22)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKey
PVYJSGKVLKXOLT-UHFFFAOYSA-N
Compound name
2-benzyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11281 171.0
[M+Na]+ 325.09475 181.9
[M-H]- 301.09825 177.6
[M+NH4]+ 320.13935 187.3
[M+K]+ 341.06869 175.4
[M+H-H2O]+ 285.10279 161.8
[M+HCOO]- 347.10373 190.4
[M+CH3COO]- 361.11938 182.9
[M+Na-2H]- 323.08020 174.6
[M]+ 302.10498 172.9
[M]- 302.10608 172.9
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.