CID 17770883

2-(2-methylpiperazin-1-yl)-1,3-benzoxazole

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC1CNCCN1C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C12H15N3O/c1-9-8-13-6-7-15(9)12-14-10-4-2-3-5-11(10)16-12/h2-5,9,13H,6-8H2,1H3
InChIKey
VRQKFPGRVSUBEV-UHFFFAOYSA-N
Compound name
2-(2-methylpiperazin-1-yl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

217.1215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 148.2
[M+Na]+ 240.11072 162.2
[M+NH4]+ 235.15532 156.5
[M+K]+ 256.08466 157.4
[M-H]- 216.11422 152.1
[M+Na-2H]- 238.09617 154.6
[M]+ 217.12095 151.2
[M]- 217.12205 151.2
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