CID 3073518

149749-98-4

Structural Information

Molecular Formula
C29H48N2O3
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)O[C@H]2[C@H]([C@H]3CC[C@@]2(C3(C)C)C)CN(CC)CC
InChI
InChI=1S/C29H48N2O3/c1-7-10-11-12-15-20-33-25-17-14-13-16-24(25)30-27(32)34-26-22(21-31(8-2)9-3)23-18-19-29(26,6)28(23,4)5/h13-14,16-17,22-23,26H,7-12,15,18-21H2,1-6H3,(H,30,32)/t22-,23+,26-,29-/m0/s1
InChIKey
XGPPLTCBKUUNLL-XZQSQWLPSA-N
Compound name
[(1R,2S,3R,4R)-3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.3665 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.37378 221.0
[M+Na]+ 495.35572 226.1
[M+NH4]+ 490.40032 229.5
[M+K]+ 511.32966 218.8
[M-H]- 471.35922 223.0
[M+Na-2H]- 493.34117 223.1
[M]+ 472.36595 222.2
[M]- 472.36705 222.2
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.