CID 1249656

115967-02-7

Structural Information

Molecular Formula
C20H21ClN2O2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CN3C4=C(C=CC(=C4)Cl)OC3=O
InChI
InChI=1S/C20H21ClN2O2/c21-17-6-7-19-18(13-17)23(20(24)25-19)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2
InChIKey
PWDIDOHDZCVMMV-UHFFFAOYSA-N
Compound name
3-[(4-benzylpiperidin-1-yl)methyl]-5-chloro-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12915 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13643 184.7
[M+Na]+ 379.11837 193.8
[M-H]- 355.12187 192.9
[M+NH4]+ 374.16297 196.8
[M+K]+ 395.09231 187.4
[M+H-H2O]+ 339.12641 174.5
[M+HCOO]- 401.12735 198.0
[M+CH3COO]- 415.14300 195.0
[M+Na-2H]- 377.10382 186.5
[M]+ 356.12860 187.2
[M]- 356.12970 187.2
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.