CID 152481

75919-74-3

Structural Information

Molecular Formula
C27H34N6
SMILES
CC1=CC(=C2C=CC(=CC2=N1)N)NCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N
InChI
InChI=1S/C27H34N6/c1-18-14-24(22-10-8-20(28)16-26(22)32-18)30-12-6-4-3-5-7-13-31-25-15-19(2)33-27-17-21(29)9-11-23(25)27/h8-11,14-17H,3-7,12-13,28-29H2,1-2H3,(H,30,32)(H,31,33)
InChIKey
QZWSSKXXZSJIMA-UHFFFAOYSA-N
Compound name
4-N-[7-[(7-amino-2-methylquinolin-4-yl)amino]heptyl]-2-methylquinoline-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

442.2845 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.29178 211.4
[M+Na]+ 465.27372 217.9
[M-H]- 441.27722 216.0
[M+NH4]+ 460.31832 218.8
[M+K]+ 481.24766 209.1
[M+H-H2O]+ 425.28176 199.4
[M+HCOO]- 487.28270 231.9
[M+CH3COO]- 501.29835 218.3
[M+Na-2H]- 463.25917 216.2
[M]+ 442.28395 212.5
[M]- 442.28505 212.5
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

patents stripe