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 204.7
[M+Na]+ 439.29312 208.6
[M-H]- 415.29662 211.1
[M+NH4]+ 434.33772 224.6
[M+K]+ 455.26706 205.7
[M+H-H2O]+ 399.30116 198.9
[M+HCOO]- 461.30210 224.2
[M+CH3COO]- 475.31775 236.2
[M+Na-2H]- 437.27857 202.7
[M]+ 416.30335 210.3
[M]- 416.30445 210.3
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.