CID 16076641

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

Structural Information

Molecular Formula
C20H29FN2
SMILES
C1C2CC3CC1CC(C2)(C3)NCCNCCC4=CC=CC=C4F
InChI
InChI=1S/C20H29FN2/c21-19-4-2-1-3-18(19)5-6-22-7-8-23-20-12-15-9-16(13-20)11-17(10-15)14-20/h1-4,15-17,22-23H,5-14H2
InChIKey
AOWHIDMXVMMDCW-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-[2-(2-fluorophenyl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.23148 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.23876 171.5
[M+Na]+ 339.22070 171.2
[M-H]- 315.22420 167.5
[M+NH4]+ 334.26530 192.0
[M+K]+ 355.19464 165.5
[M+H-H2O]+ 299.22874 161.7
[M+HCOO]- 361.22968 178.7
[M+CH3COO]- 375.24533 177.5
[M+Na-2H]- 337.20615 181.0
[M]+ 316.23093 169.0
[M]- 316.23203 169.0
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.