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 174.0
[M+Na]+ 329.12606 180.4
[M-H]- 305.12956 177.2
[M+NH4]+ 324.17066 186.7
[M+K]+ 345.10000 177.2
[M+H-H2O]+ 289.13410 165.5
[M+HCOO]- 351.13504 188.6
[M+CH3COO]- 365.15069 182.8
[M+Na-2H]- 327.11151 178.0
[M]+ 306.13629 167.4
[M]- 306.13739 167.4
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.