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 185.7
[M+Na]+ 384.16824 192.0
[M-H]- 360.17174 193.5
[M+NH4]+ 379.21284 197.6
[M+K]+ 400.14218 187.0
[M+H-H2O]+ 344.17628 175.2
[M+HCOO]- 406.17722 199.9
[M+CH3COO]- 420.19287 194.8
[M+Na-2H]- 382.15369 185.0
[M]+ 361.17847 184.3
[M]- 361.17957 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.