CID 3059897

Brn 5960690

Structural Information

Molecular Formula
C15H15ClN2O2
SMILES
C=CCC1(C(=O)NC2=C(C=C(C=C2)Cl)NC1=O)CC=C
InChI
InChI=1S/C15H15ClN2O2/c1-3-7-15(8-4-2)13(19)17-11-6-5-10(16)9-12(11)18-14(15)20/h3-6,9H,1-2,7-8H2,(H,17,19)(H,18,20)
InChIKey
YIVOCUSHWVLMGJ-UHFFFAOYSA-N
Compound name
7-chloro-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

290.0822 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08948 160.2
[M+Na]+ 313.07142 170.9
[M+NH4]+ 308.11602 166.8
[M+K]+ 329.04536 163.8
[M-H]- 289.07492 159.5
[M+Na-2H]- 311.05687 164.5
[M]+ 290.08165 161.7
[M]- 290.08275 161.7
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.