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]+ 357.136426 184.7
[M+Na]+ 379.118368 193.8
[M-H]- 355.121874 192.9
[M+NH4]+ 374.162973 196.8
[M+K]+ 395.092308 187.4
[M+H-H2O]+ 339.126410 174.5
[M+HCOO]- 401.127351 198.0
[M+CH3COO]- 415.143001 195.0
[M+Na-2H]- 377.103816 186.5
[M]+ 356.12860142 187.2
[M]- 356.12969858 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.