CID 356437

93102-03-5

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C1C2C(CN1CC3=CC=CC=C3)C(=O)N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H18N2O2/c22-18-16-12-20(11-14-7-3-1-4-8-14)13-17(16)19(23)21(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKey
USWUQRVKTQVBJU-UHFFFAOYSA-N
Compound name
2-benzyl-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

306.13684 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 172.5
[M+Na]+ 329.12606 180.3
[M-H]- 305.12956 180.8
[M+NH4]+ 324.17066 188.9
[M+K]+ 345.10000 174.7
[M+H-H2O]+ 289.13410 163.5
[M+HCOO]- 351.13504 191.7
[M+CH3COO]- 365.15069 183.6
[M+Na-2H]- 327.11151 171.3
[M]+ 306.13629 170.8
[M]- 306.13739 170.8
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.