CID 170261

39979-46-9

Structural Information

Molecular Formula
C17H22N2O4
SMILES
CC(CCN1C(=O)C=CC1=O)CC(C)(C)CN2C(=O)C=CC2=O
InChI
InChI=1S/C17H22N2O4/c1-12(8-9-18-13(20)4-5-14(18)21)10-17(2,3)11-19-15(22)6-7-16(19)23/h4-7,12H,8-11H2,1-3H3
InChIKey
XQCDLHVXAXBMGW-UHFFFAOYSA-N
Compound name
1-[6-(2,5-dioxopyrrol-1-yl)-3,5,5-trimethylhexyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

702
Patents

318.15796 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16524 175.6
[M+Na]+ 341.14718 183.4
[M+NH4]+ 336.19178 179.5
[M+K]+ 357.12112 183.5
[M-H]- 317.15068 174.0
[M+Na-2H]- 339.13263 176.7
[M]+ 318.15741 175.7
[M]- 318.15851 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe