CID 25219102

1158487-44-5

Structural Information

Molecular Formula
C15H21N3O
SMILES
CC(C)(C)C1=CC2=C(C=C1)OC(=N2)N3CCNCC3
InChI
InChI=1S/C15H21N3O/c1-15(2,3)11-4-5-13-12(10-11)17-14(19-13)18-8-6-16-7-9-18/h4-5,10,16H,6-9H2,1-3H3
InChIKey
LQPUCVXPJUUJFP-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-piperazin-1-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.175736 163.1
[M+Na]+ 282.157678 170.6
[M-H]- 258.161184 165.8
[M+NH4]+ 277.202283 176.8
[M+K]+ 298.131618 166.9
[M+H-H2O]+ 242.165720 154.5
[M+HCOO]- 304.166661 176.9
[M+CH3COO]- 318.182311 173.5
[M+Na-2H]- 280.143126 168.0
[M]+ 259.16791142 161.1
[M]- 259.16900858 161.1
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.