CID 3054769

71746-37-7

Structural Information

Molecular Formula
C25H38N2O3
SMILES
CCCCCCOC1=CC=CC=C1NC(=O)OC2C3CC4CCC3CC4C2N(C)C
InChI
InChI=1S/C25H38N2O3/c1-4-5-6-9-14-29-22-11-8-7-10-21(22)26-25(28)30-24-20-16-17-12-13-18(20)15-19(17)23(24)27(2)3/h7-8,10-11,17-20,23-24H,4-6,9,12-16H2,1-3H3,(H,26,28)
InChIKey
KWLHIUONJOYBHZ-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-4-tricyclo[4.4.0.03,8]decanyl] N-(2-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.28824 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.295516 194.7
[M+Na]+ 437.277458 191.1
[M-H]- 413.280964 193.2
[M+NH4]+ 432.322063 209.9
[M+K]+ 453.251398 188.8
[M+H-H2O]+ 397.285500 184.7
[M+HCOO]- 459.286441 200.0
[M+CH3COO]- 473.302091 244.3
[M+Na-2H]- 435.262906 199.5
[M]+ 414.28769142 198.2
[M]- 414.28878858 198.2
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.