CID 30130

Brn 0752929

Structural Information

Molecular Formula
C13H15ClN2O2
SMILES
CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)OCC
InChI
InChI=1S/C13H15ClN2O2/c1-3-16-11-6-5-9(14)7-10(11)13(18-4-2)15-8-12(16)17/h5-7H,3-4,8H2,1-2H3
InChIKey
PMQWXHSRTJFLEQ-UHFFFAOYSA-N
Compound name
7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.0822 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08948 154.2
[M+Na]+ 289.07142 166.9
[M+NH4]+ 284.11602 161.3
[M+K]+ 305.04536 161.1
[M-H]- 265.07492 155.3
[M+Na-2H]- 287.05687 159.6
[M]+ 266.08165 156.6
[M]- 266.08275 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.