CID 7131168

1-[(dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine hydrochloride

Structural Information

Molecular Formula
C9H15N3O3S
SMILES
CC1=C(C(=NO1)C)S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C9H15N3O3S/c1-7-9(8(2)15-11-7)16(13,14)12-5-3-10-4-6-12/h10H,3-6H2,1-2H3
InChIKey
VJKJAOWJMHUHQN-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

245.08342 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09070 153.8
[M+Na]+ 268.07264 162.1
[M-H]- 244.07614 156.1
[M+NH4]+ 263.11724 167.6
[M+K]+ 284.04658 159.9
[M+H-H2O]+ 228.08068 146.9
[M+HCOO]- 290.08162 164.6
[M+CH3COO]- 304.09727 184.9
[M+Na-2H]- 266.05809 155.2
[M]+ 245.08287 153.3
[M]- 245.08397 153.3
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