CID 31776

10547-40-7

Structural Information

Molecular Formula
C28H32Cl2N6
SMILES
CC(CN1CCN(CC1)CC(C)NC2=C3C=CC(=CC3=NC=C2)Cl)NC4=C5C=CC(=CC5=NC=C4)Cl
InChI
InChI=1S/C28H32Cl2N6/c1-19(33-25-7-9-31-27-15-21(29)3-5-23(25)27)17-35-11-13-36(14-12-35)18-20(2)34-26-8-10-32-28-16-22(30)4-6-24(26)28/h3-10,15-16,19-20H,11-14,17-18H2,1-2H3,(H,31,33)(H,32,34)
InChIKey
FIERVDLXKNFTPK-UHFFFAOYSA-N
Compound name
7-chloro-N-[1-[4-[2-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propan-2-yl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

522.20654 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.21382 221.9
[M+Na]+ 545.19576 226.8
[M-H]- 521.19926 225.0
[M+NH4]+ 540.24036 224.3
[M+K]+ 561.16970 217.1
[M+H-H2O]+ 505.20380 207.7
[M+HCOO]- 567.20474 223.8
[M+CH3COO]- 581.22039 225.7
[M+Na-2H]- 543.18121 223.9
[M]+ 522.20599 222.8
[M]- 522.20709 222.8
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.