CID 3073510

149749-94-0

Structural Information

Molecular Formula
C25H40N2O3
SMILES
CCCOC1=CC=CC=C1NC(=O)OC2C(C3CCC2(C3(C)C)C)CN(CC)CC
InChI
InChI=1S/C25H40N2O3/c1-7-16-29-21-13-11-10-12-20(21)26-23(28)30-22-18(17-27(8-2)9-3)19-14-15-25(22,6)24(19,4)5/h10-13,18-19,22H,7-9,14-17H2,1-6H3,(H,26,28)
InChIKey
GVLSGMYHRUDLDV-UHFFFAOYSA-N
Compound name
[3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-(2-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.3039 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.31118 203.9
[M+Na]+ 439.29312 209.9
[M+NH4]+ 434.33772 213.1
[M+K]+ 455.26706 203.5
[M-H]- 415.29662 206.1
[M+Na-2H]- 437.27857 207.0
[M]+ 416.30335 205.3
[M]- 416.30445 205.3
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.