CID 16076838

N'-[(1s,2s,4r)-norbornan-2-yl]-n-(5-quinolyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C18H23N3
SMILES
C1C[C@H]2C[C@@H]1C[C@@H]2NCCNC3=CC=CC4=C3C=CC=N4
InChI
InChI=1S/C18H23N3/c1-4-16-15(3-2-8-19-16)17(5-1)20-9-10-21-18-12-13-6-7-14(18)11-13/h1-5,8,13-14,18,20-21H,6-7,9-12H2/t13-,14+,18+/m1/s1
InChIKey
DROCFXKYPUQNEH-GLJUWKHASA-N
Compound name
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N'-quinolin-5-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19648 162.1
[M+Na]+ 304.17842 166.9
[M-H]- 280.18192 167.1
[M+NH4]+ 299.22302 182.0
[M+K]+ 320.15236 161.4
[M+H-H2O]+ 264.18646 154.3
[M+HCOO]- 326.18740 182.7
[M+CH3COO]- 340.20305 172.8
[M+Na-2H]- 302.16387 166.4
[M]+ 281.18865 159.5
[M]- 281.18975 159.5
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.