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

9
Patents

190.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 138.7
[M+Na]+ 213.09983 145.1
[M-H]- 189.10333 140.3
[M+NH4]+ 208.14443 155.2
[M+K]+ 229.07377 145.5
[M+H-H2O]+ 173.10787 131.9
[M+HCOO]- 235.10881 155.6
[M+CH3COO]- 249.12446 150.1
[M+Na-2H]- 211.08528 145.0
[M]+ 190.11006 133.1
[M]- 190.11116 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