CID 16076407

N2-(1-adamantylmethyl)-n1-[2-(2-fluorophenyl)ethyl]propane-1,2-diamine

Structural Information

Molecular Formula
C22H33FN2
SMILES
CC(CNCCC1=CC=CC=C1F)NCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C22H33FN2/c1-16(14-24-7-6-20-4-2-3-5-21(20)23)25-15-22-11-17-8-18(12-22)10-19(9-17)13-22/h2-5,16-19,24-25H,6-15H2,1H3
InChIKey
MSVHTDKOSNULKQ-UHFFFAOYSA-N
Compound name
2-N-(1-adamantylmethyl)-1-N-[2-(2-fluorophenyl)ethyl]propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.2628 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.27008 182.2
[M+Na]+ 367.25202 180.5
[M-H]- 343.25552 177.6
[M+NH4]+ 362.29662 201.3
[M+K]+ 383.22596 175.0
[M+H-H2O]+ 327.26006 172.2
[M+HCOO]- 389.26100 187.4
[M+CH3COO]- 403.27665 187.0
[M+Na-2H]- 365.23747 189.2
[M]+ 344.26225 179.5
[M]- 344.26335 179.5
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.