CID 11971394

1,4,6,6-tetraethyl-2,3-dihydro-1h-1,4-diazepine-5,7(4h,6h)-dione

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CCC1(C(=O)N(CCN(C1=O)CC)CC)CC
InChI
InChI=1S/C13H24N2O2/c1-5-13(6-2)11(16)14(7-3)9-10-15(8-4)12(13)17/h5-10H2,1-4H3
InChIKey
GUWVRBXMSQGRDU-UHFFFAOYSA-N
Compound name
1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 153.1
[M+Na]+ 263.17300 161.8
[M+NH4]+ 258.21760 159.7
[M+K]+ 279.14694 156.2
[M-H]- 239.17650 152.6
[M+Na-2H]- 261.15845 156.9
[M]+ 240.18323 154.1
[M]- 240.18433 154.1
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.