CID 43025

2-benzoxazolinone, 3-methyl-6-(3-(4-methyl-1-piperazinyl)propionyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H21N3O3
SMILES
CN1CCN(CC1)CCC(=O)C2=CC3=C(C=C2)N(C(=O)O3)C
InChI
InChI=1S/C16H21N3O3/c1-17-7-9-19(10-8-17)6-5-14(20)12-3-4-13-15(11-12)22-16(21)18(13)2/h3-4,11H,5-10H2,1-2H3
InChIKey
KETHBORJDFWNBS-UHFFFAOYSA-N
Compound name
3-methyl-6-[3-(4-methylpiperazin-1-yl)propanoyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 170.5
[M+Na]+ 326.14752 183.6
[M+NH4]+ 321.19212 176.6
[M+K]+ 342.12146 179.7
[M-H]- 302.15102 173.2
[M+Na-2H]- 324.13297 174.5
[M]+ 303.15775 172.9
[M]- 303.15885 172.9
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.