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 171.7
[M+Na]+ 328.16317 179.1
[M-H]- 304.16667 174.2
[M+NH4]+ 323.20777 183.3
[M+K]+ 344.13711 175.2
[M+H-H2O]+ 288.17121 162.1
[M+HCOO]- 350.17215 187.3
[M+CH3COO]- 364.18780 181.5
[M+Na-2H]- 326.14862 174.6
[M]+ 305.17340 173.1
[M]- 305.17450 173.1
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

patents stripe