CID 208292

Brn 0210875

Structural Information

Molecular Formula
C15H16N2O2
SMILES
C=CCC1(C(=O)NC2=CC=CC=C2NC1=O)CC=C
InChI
InChI=1S/C15H16N2O2/c1-3-9-15(10-4-2)13(18)16-11-7-5-6-8-12(11)17-14(15)19/h3-8H,1-2,9-10H2,(H,16,18)(H,17,19)
InChIKey
AJMWNIGDHAUOJD-UHFFFAOYSA-N
Compound name
3,3-bis(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

256.1212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 156.5
[M+Na]+ 279.11042 166.1
[M+NH4]+ 274.15502 162.9
[M+K]+ 295.08436 159.6
[M-H]- 255.11392 155.7
[M+Na-2H]- 277.09587 160.8
[M]+ 256.12065 157.5
[M]- 256.12175 157.5
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.