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 178.8
[M+Na]+ 362.12420 187.7
[M-H]- 338.12770 181.3
[M+NH4]+ 357.16880 190.1
[M+K]+ 378.09814 182.3
[M+H-H2O]+ 322.13224 169.6
[M+HCOO]- 384.13318 189.6
[M+CH3COO]- 398.14883 188.4
[M+Na-2H]- 360.10965 180.4
[M]+ 339.13443 182.5
[M]- 339.13553 182.5
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.