CID 16076260

N'-(1-adamantyl)-n-(5-quinolyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C21H27N3
SMILES
C1C2CC3CC1CC(C2)(C3)NCCNC4=CC=CC5=C4C=CC=N5
InChI
InChI=1S/C21H27N3/c1-4-19-18(3-2-6-22-19)20(5-1)23-7-8-24-21-12-15-9-16(13-21)11-17(10-15)14-21/h1-6,15-17,23-24H,7-14H2
InChIKey
JUEDYTCGDNWQPR-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-quinolin-5-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2205 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.22778 164.9
[M+Na]+ 344.20972 164.7
[M-H]- 320.21322 161.7
[M+NH4]+ 339.25432 184.1
[M+K]+ 360.18366 158.8
[M+H-H2O]+ 304.21776 153.4
[M+HCOO]- 366.21870 171.0
[M+CH3COO]- 380.23435 170.8
[M+Na-2H]- 342.19517 177.3
[M]+ 321.21995 162.7
[M]- 321.22105 162.7
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.