CID 13076417

84163-07-5

Structural Information

Molecular Formula
C21H22N2O4
SMILES
COC1=CC2=C(C=C1)C(=NO2)C3CCN(CC3)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C21H22N2O4/c1-25-17-7-8-18-19(13-17)27-22-20(18)16-9-11-23(12-10-16)21(24)26-14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3
InChIKey
NHMMJHHJXWPHHV-UHFFFAOYSA-N
Compound name
benzyl 4-(6-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

366.15796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 186.5
[M+Na]+ 389.14718 201.0
[M+NH4]+ 384.19178 193.6
[M+K]+ 405.12112 195.6
[M-H]- 365.15068 192.6
[M+Na-2H]- 387.13263 193.8
[M]+ 366.15741 190.3
[M]- 366.15851 190.3
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

patents stripe