CID 19789

N-diethylaminoethylbenzoxazolone hydrochloride

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCN(CC)CCN1C2=CC=CC=C2OC1=O
InChI
InChI=1S/C13H18N2O2/c1-3-14(4-2)9-10-15-11-7-5-6-8-12(11)17-13(15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKey
WPVTWBXAFLMBDZ-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.13683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 151.6
[M+Na]+ 257.12605 164.5
[M+NH4]+ 252.17065 159.6
[M+K]+ 273.09999 159.9
[M-H]- 233.12955 155.1
[M+Na-2H]- 255.11150 157.2
[M]+ 234.13628 154.4
[M]- 234.13738 154.4
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.