CID 367800

Nsc637818

Structural Information

Molecular Formula
C36H50Cl2N6S
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1SC3=CN=C4C=C(C=CC4=C3NC(C)CCCN(CC)CC)Cl)Cl
InChI
InChI=1S/C36H50Cl2N6S/c1-7-43(8-2)19-11-13-25(5)41-35-29-17-15-27(37)21-31(29)39-23-33(35)45-34-24-40-32-22-28(38)16-18-30(32)36(34)42-26(6)14-12-20-44(9-3)10-4/h15-18,21-26H,7-14,19-20H2,1-6H3,(H,39,41)(H,40,42)
InChIKey
DOYHRGZIVRVEAC-UHFFFAOYSA-N
Compound name
4-N-[7-chloro-3-[7-chloro-4-[5-(diethylamino)pentan-2-ylamino]quinolin-3-yl]sulfanylquinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

668.31946 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.32674 261.2
[M+Na]+ 691.30868 263.5
[M-H]- 667.31218 266.3
[M+NH4]+ 686.35328 262.9
[M+K]+ 707.28262 255.6
[M+H-H2O]+ 651.31672 249.7
[M+HCOO]- 713.31766 264.6
[M+CH3COO]- 727.33331 288.9
[M+Na-2H]- 689.29413 258.6
[M]+ 668.31891 274.4
[M]- 668.32001 274.4
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.