CID 433357

Nsc328397

Structural Information

Molecular Formula
C30H42N6
SMILES
CCN(CC)CCNC1=C2C=CC3=C(C2=NC(=C1)C)C=CC4=C(C=C(N=C34)C)NCCN(CC)CC
InChI
InChI=1S/C30H42N6/c1-7-35(8-2)17-15-31-27-19-21(5)33-29-23-12-14-26-28(32-16-18-36(9-3)10-4)20-22(6)34-30(26)24(23)11-13-25(27)29/h11-14,19-20H,7-10,15-18H2,1-6H3,(H,31,33)(H,32,34)
InChIKey
YDXDIPBVWWLCOL-UHFFFAOYSA-N
Compound name
1-N,7-N-bis[2-(diethylamino)ethyl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

486.3471 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.35438 228.1
[M+Na]+ 509.33632 232.8
[M-H]- 485.33982 233.0
[M+NH4]+ 504.38092 236.4
[M+K]+ 525.31026 226.9
[M+H-H2O]+ 469.34436 215.2
[M+HCOO]- 531.34530 247.7
[M+CH3COO]- 545.36095 264.5
[M+Na-2H]- 507.32177 231.9
[M]+ 486.34655 235.3
[M]- 486.34765 235.3
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.