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]+ 304.165576 171.1
[M+Na]+ 326.147518 179.9
[M-H]- 302.151024 175.5
[M+NH4]+ 321.192123 183.7
[M+K]+ 342.121458 176.7
[M+H-H2O]+ 286.155560 161.8
[M+HCOO]- 348.156501 187.4
[M+CH3COO]- 362.172151 204.8
[M+Na-2H]- 324.132966 172.6
[M]+ 303.15775142 173.5
[M]- 303.15884858 173.5
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.