CID 3073516

149749-97-3

Structural Information

Molecular Formula
C28H46N2O3
SMILES
CCCCCCOC1=CC=CC=C1NC(=O)O[C@H]2[C@H]([C@H]3CC[C@@]2(C3(C)C)C)CN(CC)CC
InChI
InChI=1S/C28H46N2O3/c1-7-10-11-14-19-32-24-16-13-12-15-23(24)29-26(31)33-25-21(20-30(8-2)9-3)22-17-18-28(25,6)27(22,4)5/h12-13,15-16,21-22,25H,7-11,14,17-20H2,1-6H3,(H,29,31)/t21-,22+,25-,28-/m0/s1
InChIKey
NSCIRCFUBIQBHL-SVAWTBLWSA-N
Compound name
[(1R,2S,3R,4R)-3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-(2-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.35083 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.35811 217.8
[M+Na]+ 481.34005 220.3
[M-H]- 457.34355 223.6
[M+NH4]+ 476.38465 235.9
[M+K]+ 497.31399 216.9
[M+H-H2O]+ 441.34809 211.5
[M+HCOO]- 503.34903 236.2
[M+CH3COO]- 517.36468 244.8
[M+Na-2H]- 479.32550 214.3
[M]+ 458.35028 224.4
[M]- 458.35138 224.4
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.