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 213.4
[M+Na]+ 467.32442 216.4
[M-H]- 443.32792 219.4
[M+NH4]+ 462.36902 232.1
[M+K]+ 483.29836 213.2
[M+H-H2O]+ 427.33246 207.3
[M+HCOO]- 489.33340 232.2
[M+CH3COO]- 503.34905 241.9
[M+Na-2H]- 465.30987 210.4
[M]+ 444.33465 219.7
[M]- 444.33575 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.