CID 5296575

727685-73-6

Structural Information

Molecular Formula
C22H23N3O2
SMILES
C1CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)C4=NC5=CC=CC=C5O4
InChI
InChI=1S/C22H23N3O2/c26-21(15-17-10-9-16-5-1-2-6-18(16)17)24-11-13-25(14-12-24)22-23-19-7-3-4-8-20(19)27-22/h1-8,17H,9-15H2
InChIKey
OWIMCZCYSPRXAW-UHFFFAOYSA-N
Compound name
1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(2,3-dihydro-1H-inden-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.186296 185.7
[M+Na]+ 384.168238 192.0
[M-H]- 360.171744 193.5
[M+NH4]+ 379.212843 197.6
[M+K]+ 400.142178 187.0
[M+H-H2O]+ 344.176280 175.2
[M+HCOO]- 406.177221 199.9
[M+CH3COO]- 420.192871 194.8
[M+Na-2H]- 382.153686 185.0
[M]+ 361.17847142 184.3
[M]- 361.17956858 184.3
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

No patent data available for this compound.