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]+ 362.18630 186.1
[M+Na]+ 384.16824 200.1
[M+NH4]+ 379.21284 194.3
[M+K]+ 400.14218 196.0
[M-H]- 360.17174 192.3
[M+Na-2H]- 382.15369 192.1
[M]+ 361.17847 189.9
[M]- 361.17957 189.9
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.