CID 16076638

N'-(1-adamantylmethyl)-n-[2-(2-fluorophenyl)ethyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C21H31FN2
SMILES
C1C2CC3CC1CC(C2)(C3)CNCCNCCC4=CC=CC=C4F
InChI
InChI=1S/C21H31FN2/c22-20-4-2-1-3-19(20)5-6-23-7-8-24-15-21-12-16-9-17(13-21)11-18(10-16)14-21/h1-4,16-18,23-24H,5-15H2
InChIKey
LNJSKAACSLMEJG-UHFFFAOYSA-N
Compound name
N'-(1-adamantylmethyl)-N-[2-(2-fluorophenyl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.24713 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.25441 175.9
[M+Na]+ 353.23635 175.1
[M-H]- 329.23985 171.7
[M+NH4]+ 348.28095 195.8
[M+K]+ 369.21029 169.3
[M+H-H2O]+ 313.24439 165.9
[M+HCOO]- 375.24533 182.7
[M+CH3COO]- 389.26098 181.4
[M+Na-2H]- 351.22180 184.8
[M]+ 330.24658 173.7
[M]- 330.24768 173.7
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.