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]+ 445.342476 213.4
[M+Na]+ 467.324418 216.4
[M-H]- 443.327924 219.4
[M+NH4]+ 462.369023 232.1
[M+K]+ 483.298358 213.2
[M+H-H2O]+ 427.332460 207.3
[M+HCOO]- 489.333401 232.2
[M+CH3COO]- 503.349051 241.9
[M+Na-2H]- 465.309866 210.4
[M]+ 444.33465142 219.7
[M]- 444.33574858 219.7
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.