CID 119659

27574-80-7

Structural Information

Molecular Formula
C20H28N2O4
SMILES
C1=CC(=O)N(C1=O)CCCCCCCCCCCCN2C(=O)C=CC2=O
InChI
InChI=1S/C20H28N2O4/c23-17-11-12-18(24)21(17)15-9-7-5-3-1-2-4-6-8-10-16-22-19(25)13-14-20(22)26/h11-14H,1-10,15-16H2
InChIKey
OEUTXEVXKFXZPB-UHFFFAOYSA-N
Compound name
1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

554
Patents

360.2049 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.212176 188.0
[M+Na]+ 383.194118 193.9
[M-H]- 359.197624 191.3
[M+NH4]+ 378.238723 201.6
[M+K]+ 399.168058 189.3
[M+H-H2O]+ 343.202160 179.5
[M+HCOO]- 405.203101 207.8
[M+CH3COO]- 419.218751 215.6
[M+Na-2H]- 381.179566 183.5
[M]+ 360.20435142 193.3
[M]- 360.20544858 193.3
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

patents stripe