CID 329576

Nsc313157

Structural Information

Molecular Formula
C30H40N6
SMILES
CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N(C)C
InChI
InChI=1S/C30H40N6/c1-21-17-27(25-13-11-23(35(3)4)19-29(25)33-21)31-15-9-7-8-10-16-32-28-18-22(2)34-30-20-24(36(5)6)12-14-26(28)30/h11-14,17-20H,7-10,15-16H2,1-6H3,(H,31,33)(H,32,34)
InChIKey
WIPLXGQXVUIAAM-UHFFFAOYSA-N
Compound name
4-N-[6-[[7-(dimethylamino)-2-methylquinolin-4-yl]amino]hexyl]-7-N,7-N,2-trimethylquinoline-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.33145 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.33873 227.6
[M+Na]+ 507.32067 232.5
[M-H]- 483.32417 235.1
[M+NH4]+ 502.36527 234.6
[M+K]+ 523.29461 226.4
[M+H-H2O]+ 467.32871 214.1
[M+HCOO]- 529.32965 248.9
[M+CH3COO]- 543.34530 262.8
[M+Na-2H]- 505.30612 230.8
[M]+ 484.33090 233.5
[M]- 484.33200 233.5
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.