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]+ 303.112806 171.0
[M+Na]+ 325.094748 181.9
[M-H]- 301.098254 177.6
[M+NH4]+ 320.139353 187.3
[M+K]+ 341.068688 175.4
[M+H-H2O]+ 285.102790 161.8
[M+HCOO]- 347.103731 190.4
[M+CH3COO]- 361.119381 182.9
[M+Na-2H]- 323.080196 174.6
[M]+ 302.10498142 172.9
[M]- 302.10607858 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.