CID 433220

Nsc325621

Structural Information

Molecular Formula
C32H46N6
SMILES
CCN(CC)CC(C)NC1=C2C=CC3=C(C2=NC(=C1)C)C=CC4=C(C=C(N=C34)C)NC(C)CN(CC)CC
InChI
InChI=1S/C32H46N6/c1-9-37(10-2)19-23(7)33-29-17-21(5)35-31-25-14-16-28-30(34-24(8)20-38(11-3)12-4)18-22(6)36-32(28)26(25)13-15-27(29)31/h13-18,23-24H,9-12,19-20H2,1-8H3,(H,33,35)(H,34,36)
InChIKey
ZQGDGBOLIRAWCO-UHFFFAOYSA-N
Compound name
1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.3784 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.38568 237.5
[M+Na]+ 537.36762 240.6
[M-H]- 513.37112 242.2
[M+NH4]+ 532.41222 244.4
[M+K]+ 553.34156 235.6
[M+H-H2O]+ 497.37566 224.9
[M+HCOO]- 559.37660 254.4
[M+CH3COO]- 573.39225 271.8
[M+Na-2H]- 535.35307 238.1
[M]+ 514.37785 244.1
[M]- 514.37895 244.1
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.