CID 335083

Nsc343227

Structural Information

Molecular Formula
C28H30Cl2N6
SMILES
C1CN(CCC1CCC2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl)C5=NC=NC6=C5C=CC(=C6)Cl
InChI
InChI=1S/C28H30Cl2N6/c29-21-3-5-23-25(15-21)31-17-33-27(23)35-11-7-19(8-12-35)1-2-20-9-13-36(14-10-20)28-24-6-4-22(30)16-26(24)32-18-34-28/h3-6,15-20H,1-2,7-14H2
InChIKey
CTANXOBLOROWLB-UHFFFAOYSA-N
Compound name
7-chloro-4-[4-[2-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]ethyl]piperidin-1-yl]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

520.1909 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.19818 229.5
[M+Na]+ 543.18012 249.4
[M+NH4]+ 538.22472 237.3
[M+K]+ 559.15406 236.5
[M-H]- 519.18362 237.1
[M+Na-2H]- 541.16557 238.5
[M]+ 520.19035 235.4
[M]- 520.19145 235.4
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.