CID 215538

Brn 0772959

Structural Information

Molecular Formula
C34H38N8
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C5C(=CC4=NC=C3)C(=CC=N5)NC6=CC=C(C=C6)N7CCN(CC7)C
InChI
InChI=1S/C34H38N8/c1-39-15-19-41(20-16-39)27-7-3-25(4-8-27)37-31-11-13-35-33-24-30-32(12-14-36-34(30)23-29(31)33)38-26-5-9-28(10-6-26)42-21-17-40(2)18-22-42/h3-14,23-24H,15-22H2,1-2H3,(H,35,37)(H,36,38)
InChIKey
JXOXNFQCUHYCEV-UHFFFAOYSA-N
Compound name
4-N,9-N-bis[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-g]quinoline-4,9-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.32196 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.32924 238.6
[M+Na]+ 581.31118 241.3
[M-H]- 557.31468 244.9
[M+NH4]+ 576.35578 233.9
[M+K]+ 597.28512 229.1
[M+H-H2O]+ 541.31922 219.1
[M+HCOO]- 603.32016 244.2
[M+CH3COO]- 617.33581 239.7
[M+Na-2H]- 579.29663 240.7
[M]+ 558.32141 230.1
[M]- 558.32251 230.1
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.