CID 3046675

K 9872

Structural Information

Molecular Formula
C13H17N3O
SMILES
CCN(CC)C1=NC2=CC=CC=C2NC(=O)C1
InChI
InChI=1S/C13H17N3O/c1-3-16(4-2)12-9-13(17)15-11-8-6-5-7-10(11)14-12/h5-8H,3-4,9H2,1-2H3,(H,15,17)
InChIKey
UFNFGPTZHKCQKM-UHFFFAOYSA-N
Compound name
4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 150.7
[M+Na]+ 254.12638 160.9
[M+NH4]+ 249.17098 157.5
[M+K]+ 270.10032 156.2
[M-H]- 230.12988 152.2
[M+Na-2H]- 252.11183 156.2
[M]+ 231.13661 152.4
[M]- 231.13771 152.4
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.