CID 16076607

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

Structural Information

Molecular Formula
C21H31FN2
SMILES
CC(C12CC3CC(C1)CC(C3)C2)NCCNCC4=CC=CC=C4F
InChI
InChI=1S/C21H31FN2/c1-15(21-11-16-8-17(12-21)10-18(9-16)13-21)24-7-6-23-14-19-4-2-3-5-20(19)22/h2-5,15-18,23-24H,6-14H2,1H3
InChIKey
QQEROLUEDYGBCE-UHFFFAOYSA-N
Compound name
N'-[1-(1-adamantyl)ethyl]-N-[(2-fluorophenyl)methyl]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 177.8
[M+Na]+ 353.23635 176.6
[M-H]- 329.23985 173.4
[M+NH4]+ 348.28095 197.5
[M+K]+ 369.21029 171.3
[M+H-H2O]+ 313.24439 168.0
[M+HCOO]- 375.24533 183.4
[M+CH3COO]- 389.26098 183.0
[M+Na-2H]- 351.22180 185.4
[M]+ 330.24658 174.8
[M]- 330.24768 174.8
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.