CID 22558206

5-methyl-2-(piperazin-1-yl)-1,3-benzoxazole

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC1=CC2=C(C=C1)OC(=N2)N3CCNCC3
InChI
InChI=1S/C12H15N3O/c1-9-2-3-11-10(8-9)14-12(16-11)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChIKey
LMWRWGVXGSCKRR-UHFFFAOYSA-N
Compound name
5-methyl-2-piperazin-1-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

217.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.9
[M+Na]+ 240.11072 156.4
[M-H]- 216.11422 150.7
[M+NH4]+ 235.15532 163.1
[M+K]+ 256.08466 152.8
[M+H-H2O]+ 200.11876 139.1
[M+HCOO]- 262.11970 164.5
[M+CH3COO]- 276.13535 159.5
[M+Na-2H]- 238.09617 153.6
[M]+ 217.12095 145.5
[M]- 217.12205 145.5
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

patents stripe