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

5
Patents

217.1215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 147.9
[M+Na]+ 240.110718 156.4
[M-H]- 216.114224 150.7
[M+NH4]+ 235.155323 163.1
[M+K]+ 256.084658 152.8
[M+H-H2O]+ 200.118760 139.1
[M+HCOO]- 262.119701 164.5
[M+CH3COO]- 276.135351 159.5
[M+Na-2H]- 238.096166 153.6
[M]+ 217.12095142 145.5
[M]- 217.12204858 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