CID 343370

2506-22-1

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CC1C2CC3CC(C2N(C3)CC4=CC=CC=C4)(O1)NC(=O)OC
InChI
InChI=1S/C18H24N2O3/c1-12-15-8-14-9-18(23-12,19-17(21)22-2)16(15)20(11-14)10-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3,(H,19,21)
InChIKey
WJYYMZCCCGIGPC-UHFFFAOYSA-N
Compound name
methyl N-(8-benzyl-5-methyl-4-oxa-8-azatricyclo[4.3.1.03,7]decan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 169.3
[M+Na]+ 339.167898 172.7
[M-H]- 315.171404 170.2
[M+NH4]+ 334.212503 189.0
[M+K]+ 355.141838 170.4
[M+H-H2O]+ 299.175940 161.3
[M+HCOO]- 361.176881 178.6
[M+CH3COO]- 375.192531 178.0
[M+Na-2H]- 337.153346 176.0
[M]+ 316.17813142 171.7
[M]- 316.17922858 171.7
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.