CID 44540845

Ws 50030

Structural Information

Molecular Formula
C23H25N3O2
SMILES
C1CN(CCN1CCCC2=CCC3=CC=CC=C32)C4=CC=CC5=C4OC(=O)N5
InChI
InChI=1S/C23H25N3O2/c27-23-24-20-8-3-9-21(22(20)28-23)26-15-13-25(14-16-26)12-4-6-18-11-10-17-5-1-2-7-19(17)18/h1-3,5,7-9,11H,4,6,10,12-16H2,(H,24,27)
InChIKey
NBEGULJEDOLHOO-UHFFFAOYSA-N
Compound name
7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.19467 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 189.6
[M+Na]+ 398.18389 197.3
[M-H]- 374.18739 196.6
[M+NH4]+ 393.22849 200.7
[M+K]+ 414.15783 190.5
[M+H-H2O]+ 358.19193 179.4
[M+HCOO]- 420.19287 204.4
[M+CH3COO]- 434.20852 198.6
[M+Na-2H]- 396.16934 189.4
[M]+ 375.19412 189.3
[M]- 375.19522 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.