CID 389854

Nsc686485

Structural Information

Molecular Formula
C26H26N4O3
SMILES
CCOC1=CC=C(C=C1)N2C(=O)NC3(C2(N(C(=O)N3C)C)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H26N4O3/c1-4-33-22-17-15-21(16-18-22)30-23(31)27-25(19-11-7-5-8-12-19)26(30,20-13-9-6-10-14-20)29(3)24(32)28(25)2/h5-18H,4H2,1-3H3,(H,27,31)
InChIKey
PIYQBHXTZCMPOY-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.2005 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.20778 207.2
[M+Na]+ 465.18972 216.1
[M-H]- 441.19322 215.5
[M+NH4]+ 460.23432 218.3
[M+K]+ 481.16366 208.7
[M+H-H2O]+ 425.19776 195.2
[M+HCOO]- 487.19870 221.1
[M+CH3COO]- 501.21435 215.3
[M+Na-2H]- 463.17517 204.8
[M]+ 442.19995 207.3
[M]- 442.20105 207.3
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.