CID 3073514

149749-96-2

Structural Information

Molecular Formula
C27H44N2O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OC2C(C3CCC2(C3(C)C)C)CN(CC)CC
InChI
InChI=1S/C27H44N2O3/c1-7-10-13-18-31-23-15-12-11-14-22(23)28-25(30)32-24-20(19-29(8-2)9-3)21-16-17-27(24,6)26(21,4)5/h11-12,14-15,20-21,24H,7-10,13,16-19H2,1-6H3,(H,28,30)
InChIKey
PCNNLAGXJZYDEO-UHFFFAOYSA-N
Compound name
[3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.3352 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.34248 212.5
[M+Na]+ 467.32442 218.0
[M+NH4]+ 462.36902 221.3
[M+K]+ 483.29836 211.2
[M-H]- 443.32792 214.6
[M+Na-2H]- 465.30987 215.1
[M]+ 444.33465 213.8
[M]- 444.33575 213.8
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.