CID 3033742

Bisaramil

Structural Information

Molecular Formula
C17H23ClN2O2
SMILES
CCN1C[C@H]2CN(C[C@@H](C1)C2OC(=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C17H23ClN2O2/c1-3-20-10-13-8-19(2)9-14(11-20)16(13)22-17(21)12-4-6-15(18)7-5-12/h4-7,13-14,16H,3,8-11H2,1-2H3/t13-,14+,16?
InChIKey
PMCPYLGCPSNSLS-MZBDJJRSSA-N
Compound name
[(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

541
Patents

322.1448 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15208 174.9
[M+Na]+ 345.13402 188.2
[M+NH4]+ 340.17862 183.3
[M+K]+ 361.10796 180.2
[M-H]- 321.13752 177.4
[M+Na-2H]- 343.11947 178.7
[M]+ 322.14425 177.7
[M]- 322.14535 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe