CID 435191

Nsc365360

Structural Information

Molecular Formula
C30H38N6O2
SMILES
COC1=CC2=C(C=CN=C2C=C1)NCCCN3CCN(CC3)CCCNC4=C5C=C(C=CC5=NC=C4)OC
InChI
InChI=1S/C30H38N6O2/c1-37-23-5-7-27-25(21-23)29(9-13-33-27)31-11-3-15-35-17-19-36(20-18-35)16-4-12-32-30-10-14-34-28-8-6-24(38-2)22-26(28)30/h5-10,13-14,21-22H,3-4,11-12,15-20H2,1-2H3,(H,31,33)(H,32,34)
InChIKey
QAEHNFILBBDKPA-UHFFFAOYSA-N
Compound name
6-methoxy-N-[3-[4-[3-[(6-methoxyquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.3056 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.31288 227.2
[M+Na]+ 537.29482 230.3
[M-H]- 513.29832 231.1
[M+NH4]+ 532.33942 228.2
[M+K]+ 553.26876 221.8
[M+H-H2O]+ 497.30286 211.3
[M+HCOO]- 559.30380 239.9
[M+CH3COO]- 573.31945 231.0
[M+Na-2H]- 535.28027 231.6
[M]+ 514.30505 228.0
[M]- 514.30615 228.0
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.