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]+ 415.29552 194.7
[M+Na]+ 437.27746 191.1
[M-H]- 413.28096 193.2
[M+NH4]+ 432.32206 209.9
[M+K]+ 453.25140 188.8
[M+H-H2O]+ 397.28550 184.7
[M+HCOO]- 459.28644 200.0
[M+CH3COO]- 473.30209 244.3
[M+Na-2H]- 435.26291 199.5
[M]+ 414.28769 198.2
[M]- 414.28879 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.