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 152.1
[M+Na]+ 257.12605 161.6
[M-H]- 233.12955 157.9
[M+NH4]+ 252.17065 171.1
[M+K]+ 273.09999 160.4
[M+H-H2O]+ 217.13409 144.9
[M+HCOO]- 279.13503 177.4
[M+CH3COO]- 293.15068 197.0
[M+Na-2H]- 255.11150 158.7
[M]+ 234.13628 159.0
[M]- 234.13738 159.0
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.