CID 369307

Nsc641061

Structural Information

Molecular Formula
C19H15N3O3
SMILES
C1=CC=C(C=C1)CN2C3=C(C(=O)NC3=O)N(C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C19H15N3O3/c23-17-15-16(18(24)20-17)22(12-14-9-5-2-6-10-14)19(25)21(15)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,20,23,24)
InChIKey
MGFIMCFURALMFZ-UHFFFAOYSA-N
Compound name
1,3-dibenzylpyrrolo[3,4-d]imidazole-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11133 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11861 177.3
[M+Na]+ 356.10055 187.5
[M-H]- 332.10405 184.2
[M+NH4]+ 351.14515 190.8
[M+K]+ 372.07449 180.7
[M+H-H2O]+ 316.10859 168.0
[M+HCOO]- 378.10953 196.8
[M+CH3COO]- 392.12518 188.3
[M+Na-2H]- 354.08600 177.0
[M]+ 333.11078 178.3
[M]- 333.11188 178.3
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.