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]+ 317.18596 169.3
[M+Na]+ 339.16790 172.7
[M-H]- 315.17140 170.2
[M+NH4]+ 334.21250 189.0
[M+K]+ 355.14184 170.4
[M+H-H2O]+ 299.17594 161.3
[M+HCOO]- 361.17688 178.6
[M+CH3COO]- 375.19253 178.0
[M+Na-2H]- 337.15335 176.0
[M]+ 316.17813 171.7
[M]- 316.17923 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.