CID 369308

Nsc641062

Structural Information

Molecular Formula
C26H21N3O3
SMILES
C1=CC=C(C=C1)CN2C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5
InChI
InChI=1S/C26H21N3O3/c30-24-22-23(25(31)29(24)18-21-14-8-3-9-15-21)28(17-20-12-6-2-7-13-20)26(32)27(22)16-19-10-4-1-5-11-19/h1-15H,16-18H2
InChIKey
OGMWOFMTYNSORS-UHFFFAOYSA-N
Compound name
1,3,5-tribenzylpyrrolo[3,4-d]imidazole-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

423.1583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.16558 203.5
[M+Na]+ 446.14752 212.7
[M-H]- 422.15102 214.3
[M+NH4]+ 441.19212 213.2
[M+K]+ 462.12146 204.8
[M+H-H2O]+ 406.15556 191.9
[M+HCOO]- 468.15650 222.8
[M+CH3COO]- 482.17215 212.9
[M+Na-2H]- 444.13297 200.8
[M]+ 423.15775 205.9
[M]- 423.15885 205.9
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

patents stripe