CID 16076236

627519-59-9

Structural Information

Molecular Formula
C18H25N3
SMILES
CC1CCC(CC1)NCCNC2=CC=CC3=C2C=CC=N3
InChI
InChI=1S/C18H25N3/c1-14-7-9-15(10-8-14)19-12-13-21-18-6-2-5-17-16(18)4-3-11-20-17/h2-6,11,14-15,19,21H,7-10,12-13H2,1H3
InChIKey
OPKOCUHUYXYHGT-UHFFFAOYSA-N
Compound name
N-(4-methylcyclohexyl)-N'-quinolin-5-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.20483 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.21211 166.6
[M+Na]+ 306.19405 169.9
[M-H]- 282.19755 171.2
[M+NH4]+ 301.23865 181.0
[M+K]+ 322.16799 164.6
[M+H-H2O]+ 266.20209 157.0
[M+HCOO]- 328.20303 185.8
[M+CH3COO]- 342.21868 176.0
[M+Na-2H]- 304.17950 172.4
[M]+ 283.20428 161.4
[M]- 283.20538 161.4
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.