CID 11971391

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

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCC1(C(=O)NCCNC1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O2/c1-2-13(10-6-4-3-5-7-10)11(16)14-8-9-15-12(13)17/h3-7H,2,8-9H2,1H3,(H,14,16)(H,15,17)
InChIKey
NRGIPEKSMSUYEH-UHFFFAOYSA-N
Compound name
6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 151.5
[M+Na]+ 255.11041 161.2
[M+NH4]+ 250.15501 158.6
[M+K]+ 271.08435 155.3
[M-H]- 231.11391 152.5
[M+Na-2H]- 253.09586 158.3
[M]+ 232.12064 153.1
[M]- 232.12174 153.1
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.