CID 3073506

149749-92-8

Structural Information

Molecular Formula
C23H36N2O3
SMILES
CCN(CC)CC1C2CCC(C1OC(=O)NC3=CC=CC=C3OC)(C2(C)C)C
InChI
InChI=1S/C23H36N2O3/c1-7-25(8-2)15-16-17-13-14-23(5,22(17,3)4)20(16)28-21(26)24-18-11-9-10-12-19(18)27-6/h9-12,16-17,20H,7-8,13-15H2,1-6H3,(H,24,26)
InChIKey
XJMJASQHDPVCFZ-UHFFFAOYSA-N
Compound name
[3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-(2-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.27258 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.27986 195.8
[M+Na]+ 411.26180 200.7
[M-H]- 387.26530 202.7
[M+NH4]+ 406.30640 216.9
[M+K]+ 427.23574 198.2
[M+H-H2O]+ 371.26984 190.3
[M+HCOO]- 433.27078 216.0
[M+CH3COO]- 447.28643 230.4
[M+Na-2H]- 409.24725 194.8
[M]+ 388.27203 200.9
[M]- 388.27313 200.9
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.