CID 3052772

Ramciclane

Structural Information

Molecular Formula

C₂₁H₃₃NO

SMILES

CC1(C2CCC1(C(C2)(CC3=CC=CC=C3)OCCN(C)C)C)C

InChI

InChI=1S/C21H33NO/c1-19(2)18-11-12-20(19,3)21(16-18,23-14-13-22(4)5)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3

InChIKey

XAZVHBVUJRRLHH-UHFFFAOYSA-N

Compound name

2-[(2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 315.25623 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	316.263506	178.8
[M+Na]+	338.245448	185.2
[M-H]-	314.248954	185.9
[M+NH4]+	333.290053	204.9
[M+K]+	354.219388	181.5
[M+H-H2O]+	298.253490	173.2
[M+HCOO]-	360.254431	199.3
[M+CH3COO]-	374.270081	214.1
[M+Na-2H]-	336.230896	180.8
[M]+	315.25568142	182.0
[M]-	315.25677858	182.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe