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]+ 307.144116 174.0
[M+Na]+ 329.126058 180.4
[M-H]- 305.129564 177.2
[M+NH4]+ 324.170663 186.7
[M+K]+ 345.099998 177.2
[M+H-H2O]+ 289.134100 165.5
[M+HCOO]- 351.135041 188.6
[M+CH3COO]- 365.150691 182.8
[M+Na-2H]- 327.111506 178.0
[M]+ 306.13629142 167.4
[M]- 306.13738858 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.