CID 16076234

627519-57-7

Structural Information

Molecular Formula
C17H23N3
SMILES
C1CCC(CC1)NCCNC2=CC=CC3=C2C=CC=N3
InChI
InChI=1S/C17H23N3/c1-2-6-14(7-3-1)18-12-13-20-17-10-4-9-16-15(17)8-5-11-19-16/h4-5,8-11,14,18,20H,1-3,6-7,12-13H2
InChIKey
DMICMWVUIUVWRQ-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N'-quinolin-5-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1892 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.19648 161.0
[M+Na]+ 292.17842 163.8
[M-H]- 268.18192 165.4
[M+NH4]+ 287.22302 175.7
[M+K]+ 308.15236 158.7
[M+H-H2O]+ 252.18646 151.4
[M+HCOO]- 314.18740 180.6
[M+CH3COO]- 328.20305 170.5
[M+Na-2H]- 290.16387 168.1
[M]+ 269.18865 155.1
[M]- 269.18975 155.1
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.