CID 3073512

149749-95-1

Structural Information

Molecular Formula
C26H42N2O3
SMILES
CCCCOC1=CC=CC=C1NC(=O)OC2C(C3CCC2(C3(C)C)C)CN(CC)CC
InChI
InChI=1S/C26H42N2O3/c1-7-10-17-30-22-14-12-11-13-21(22)27-24(29)31-23-19(18-28(8-2)9-3)20-15-16-26(23,6)25(20,4)5/h11-14,19-20,23H,7-10,15-18H2,1-6H3,(H,27,29)
InChIKey
JUBMAJCADTXTBK-UHFFFAOYSA-N
Compound name
[3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-(2-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.31955 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.32683 208.2
[M+Na]+ 453.30877 214.0
[M+NH4]+ 448.35337 217.2
[M+K]+ 469.28271 207.3
[M-H]- 429.31227 210.4
[M+Na-2H]- 451.29422 211.1
[M]+ 430.31900 209.6
[M]- 430.32010 209.6
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.