CID 288929

Nsc150301

Structural Information

Molecular Formula
C26H28N2O4
SMILES
COC(=O)C1C2C(C(N1C3CCCCC3)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)NC2=O
InChI
InChI=1S/C26H28N2O4/c1-32-26(31)23-21-20(24(29)27-25(21)30)22(28(23)19-10-6-3-7-11-19)18-14-12-17(13-15-18)16-8-4-2-5-9-16/h2,4-5,8-9,12-15,19-23H,3,6-7,10-11H2,1H3,(H,27,29,30)
InChIKey
HZEWCQLFKWECHI-UHFFFAOYSA-N
Compound name
methyl 5-cyclohexyl-1,3-dioxo-6-(4-phenylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2049 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21218 205.6
[M+Na]+ 455.19412 209.0
[M-H]- 431.19762 214.6
[M+NH4]+ 450.23872 215.2
[M+K]+ 471.16806 202.8
[M+H-H2O]+ 415.20216 195.7
[M+HCOO]- 477.20310 217.0
[M+CH3COO]- 491.21875 212.4
[M+Na-2H]- 453.17957 197.4
[M]+ 432.20435 199.7
[M]- 432.20545 199.7
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.