CID 3059901

Brn 5962849

Structural Information

Molecular Formula
C14H15ClN2O2
SMILES
CCC1(C(=O)NC2=C(C=C(C=C2)Cl)NC1=O)CC=C
InChI
InChI=1S/C14H15ClN2O2/c1-3-7-14(4-2)12(18)16-10-6-5-9(15)8-11(10)17-13(14)19/h3,5-6,8H,1,4,7H2,2H3,(H,16,18)(H,17,19)
InChIKey
QCSTWIYAMXHXDO-UHFFFAOYSA-N
Compound name
7-chloro-3-ethyl-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

278.0822 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08948 158.5
[M+Na]+ 301.07142 167.7
[M-H]- 277.07492 159.0
[M+NH4]+ 296.11602 174.1
[M+K]+ 317.04536 164.8
[M+H-H2O]+ 261.07946 151.9
[M+HCOO]- 323.08040 169.2
[M+CH3COO]- 337.09605 195.4
[M+Na-2H]- 299.05687 162.2
[M]+ 278.08165 154.9
[M]- 278.08275 154.9
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.