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]+ 257.128476 157.2
[M+Na]+ 279.110418 164.1
[M-H]- 255.113924 157.5
[M+NH4]+ 274.155023 172.3
[M+K]+ 295.084358 161.7
[M+H-H2O]+ 239.118460 150.3
[M+HCOO]- 301.119401 171.9
[M+CH3COO]- 315.135051 192.8
[M+Na-2H]- 277.095866 161.3
[M]+ 256.12065142 151.2
[M]- 256.12174858 151.2
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.