CID 3042942

Brn 0676938

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C=CCC1(C(=O)NC2=CC=CC=C2NC1=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2/c1-2-12-19(13-14-8-4-3-5-9-14)17(22)20-15-10-6-7-11-16(15)21-18(19)23/h2-11H,1,12-13H2,(H,20,22)(H,21,23)
InChIKey
QYGJKJHKUSIDDN-UHFFFAOYSA-N
Compound name
3-benzyl-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

306.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 172.0
[M+Na]+ 329.12606 183.6
[M+NH4]+ 324.17066 179.1
[M+K]+ 345.10000 175.6
[M-H]- 305.12956 173.9
[M+Na-2H]- 327.11151 179.0
[M]+ 306.13629 174.3
[M]- 306.13739 174.3
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.