CID 76687

1,6-bis(2-oxoazepan-1-yl)hexane-1,6-dione

Structural Information

Molecular Formula
C18H28N2O4
SMILES
C1CCC(=O)N(CC1)C(=O)CCCCC(=O)N2CCCCCC2=O
InChI
InChI=1S/C18H28N2O4/c21-15-9-3-1-7-13-19(15)17(23)11-5-6-12-18(24)20-14-8-2-4-10-16(20)22/h1-14H2
InChIKey
PMKTZZPISUBWEM-UHFFFAOYSA-N
Compound name
1,6-bis(2-oxoazepan-1-yl)hexane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

336.2049 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 184.3
[M+Na]+ 359.19412 187.1
[M+NH4]+ 354.23872 186.6
[M+K]+ 375.16806 185.6
[M-H]- 335.19762 183.4
[M+Na-2H]- 357.17957 184.4
[M]+ 336.20435 184.0
[M]- 336.20545 184.0
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