CID 16076408

N2-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-n1-[2-(2-fluorophenyl)ethyl]propane-1,2-diamine

Structural Information

Molecular Formula
C21H33FN2
SMILES
CC(CNCCC1=CC=CC=C1F)NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C
InChI
InChI=1S/C21H33FN2/c1-15(13-23-11-10-16-6-4-5-7-20(16)22)24-14-17-8-9-18-12-19(17)21(18,2)3/h4-7,15,17-19,23-24H,8-14H2,1-3H3/t15?,17-,18-,19-/m0/s1
InChIKey
SFALKJZYAGNNKE-SFJQHFOJSA-N
Compound name
2-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-1-N-[2-(2-fluorophenyl)ethyl]propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.2628 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27008 197.2
[M+Na]+ 355.25202 198.3
[M-H]- 331.25552 196.4
[M+NH4]+ 350.29662 210.0
[M+K]+ 371.22596 196.7
[M+H-H2O]+ 315.26006 184.0
[M+HCOO]- 377.26100 207.6
[M+CH3COO]- 391.27665 225.7
[M+Na-2H]- 353.23747 200.6
[M]+ 332.26225 205.8
[M]- 332.26335 205.8
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.