CID 26854

14733-75-6

Structural Information

Molecular Formula
C16H22ClN3O3
SMILES
C1CN(CCN1CCCN2C3=C(C=CC(=C3)Cl)OC2=O)CCO
InChI
InChI=1S/C16H22ClN3O3/c17-13-2-3-15-14(12-13)20(16(22)23-15)5-1-4-18-6-8-19(9-7-18)10-11-21/h2-3,12,21H,1,4-11H2
InChIKey
XTDOOWXLTBAVKL-UHFFFAOYSA-N
Compound name
5-chloro-3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.13498 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14226 177.9
[M+Na]+ 362.12420 191.6
[M+NH4]+ 357.16880 184.3
[M+K]+ 378.09814 186.3
[M-H]- 338.12770 180.6
[M+Na-2H]- 360.10965 181.8
[M]+ 339.13443 180.8
[M]- 339.13553 180.8
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.