CID 26855

14733-76-7

Structural Information

Molecular Formula
C16H23N3O3
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3OC2=O)CCO
InChI
InChI=1S/C16H23N3O3/c20-13-12-18-10-8-17(9-11-18)6-3-7-19-14-4-1-2-5-15(14)22-16(19)21/h1-2,4-5,20H,3,6-13H2
InChIKey
CCXDRDZXJGUIGM-UHFFFAOYSA-N
Compound name
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

305.17395 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18123 172.3
[M+Na]+ 328.16317 184.8
[M+NH4]+ 323.20777 178.5
[M+K]+ 344.13711 180.3
[M-H]- 304.16667 174.9
[M+Na-2H]- 326.14862 176.4
[M]+ 305.17340 174.6
[M]- 305.17450 174.6
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.