CID 26023

2-benzoxazolinone, 3-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride, hydrate

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3OC2=O
InChI
InChI=1S/C15H21N3O2/c1-16-9-11-17(12-10-16)7-4-8-18-13-5-2-3-6-14(13)20-15(18)19/h2-3,5-6H,4,7-12H2,1H3
InChIKey
HSEDBOALFFVYQS-UHFFFAOYSA-N
Compound name
3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.170676 164.3
[M+Na]+ 298.152618 172.8
[M-H]- 274.156124 168.3
[M+NH4]+ 293.197223 178.0
[M+K]+ 314.126558 169.3
[M+H-H2O]+ 258.160660 154.7
[M+HCOO]- 320.161601 181.6
[M+CH3COO]- 334.177251 175.4
[M+Na-2H]- 296.138066 168.0
[M]+ 275.16285142 165.7
[M]- 275.16394858 165.7
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.