CID 3078200

Brn 5532774

Structural Information

Molecular Formula
C11H14N2O
SMILES
CCN1C(=O)CCNC2=CC=CC=C21
InChI
InChI=1S/C11H14N2O/c1-2-13-10-6-4-3-5-9(10)12-8-7-11(13)14/h3-6,12H,2,7-8H2,1H3
InChIKey
HSZLNPJAFSBTOE-UHFFFAOYSA-N
Compound name
5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

190.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 138.7
[M+Na]+ 213.099828 145.1
[M-H]- 189.103334 140.3
[M+NH4]+ 208.144433 155.2
[M+K]+ 229.073768 145.5
[M+H-H2O]+ 173.107870 131.9
[M+HCOO]- 235.108811 155.6
[M+CH3COO]- 249.124461 150.1
[M+Na-2H]- 211.085276 145.0
[M]+ 190.11006142 133.1
[M]- 190.11115858 133.1
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

patents stripe