CID 3042941

Brn 0794884

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CCC1(C(=O)NC2=CC=CC=C2NC1=O)CC=C
InChI
InChI=1S/C14H16N2O2/c1-3-9-14(4-2)12(17)15-10-7-5-6-8-11(10)16-13(14)18/h3,5-8H,1,4,9H2,2H3,(H,15,17)(H,16,18)
InChIKey
NAEZHQDCAHGFCK-UHFFFAOYSA-N
Compound name
3-ethyl-3-prop-2-enyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 152.8
[M+Na]+ 267.11041 162.6
[M+NH4]+ 262.15501 159.6
[M+K]+ 283.08435 156.3
[M-H]- 243.11391 152.2
[M+Na-2H]- 265.09586 157.5
[M]+ 244.12064 153.9
[M]- 244.12174 153.9
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.