CID 16076721

N'-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-n-[2-(2-fluorophenyl)ethyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C20H31FN2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCCC3=CC=CC=C3F)C
InChI
InChI=1S/C20H31FN2/c1-20(2)17-8-7-16(18(20)13-17)14-23-12-11-22-10-9-15-5-3-4-6-19(15)21/h3-6,16-18,22-23H,7-14H2,1-2H3/t16-,17-,18-/m0/s1
InChIKey
RVCLSZVVRSLFKG-BZSNNMDCSA-N
Compound name
N'-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-[2-(2-fluorophenyl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.24713 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.25441 189.7
[M+Na]+ 341.23635 191.6
[M-H]- 317.23985 189.1
[M+NH4]+ 336.28095 203.2
[M+K]+ 357.21029 189.7
[M+H-H2O]+ 301.24439 176.5
[M+HCOO]- 363.24533 201.6
[M+CH3COO]- 377.26098 222.1
[M+Na-2H]- 339.22180 195.1
[M]+ 318.24658 198.7
[M]- 318.24768 198.7
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.