CID 151644

60504-61-2

Structural Information

Molecular Formula
C26H32N6
SMILES
CC1=CC(=C2C=C(C=CC2=N1)N)NCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)N
InChI
InChI=1S/C26H32N6/c1-17-13-25(21-15-19(27)7-9-23(21)31-17)29-11-5-3-4-6-12-30-26-14-18(2)32-24-10-8-20(28)16-22(24)26/h7-10,13-16H,3-6,11-12,27-28H2,1-2H3,(H,29,31)(H,30,32)
InChIKey
OTPLCLOHTAPVEK-UHFFFAOYSA-N
Compound name
4-N-[6-[(6-amino-2-methylquinolin-4-yl)amino]hexyl]-2-methylquinoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

428.26886 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.27614 207.2
[M+Na]+ 451.25808 214.2
[M-H]- 427.26158 212.1
[M+NH4]+ 446.30268 215.3
[M+K]+ 467.23202 205.6
[M+H-H2O]+ 411.26612 195.5
[M+HCOO]- 473.26706 228.1
[M+CH3COO]- 487.28271 214.6
[M+Na-2H]- 449.24353 212.6
[M]+ 428.26831 208.1
[M]- 428.26941 208.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.