CID 433222

Nsc325623

Structural Information

Molecular Formula
C36H54N6
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC3=C(C2=NC(=C1)C)C=CC4=C(C=C(N=C34)C)NC(C)CCCN(CC)CC
InChI
InChI=1S/C36H54N6/c1-9-41(10-2)21-13-15-25(5)37-33-23-27(7)39-35-29-18-20-32-34(38-26(6)16-14-22-42(11-3)12-4)24-28(8)40-36(32)30(29)17-19-31(33)35/h17-20,23-26H,9-16,21-22H2,1-8H3,(H,37,39)(H,38,40)
InChIKey
CKCJECFVTUNGND-UHFFFAOYSA-N
Compound name
1-N,7-N-bis[5-(diethylamino)pentan-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

570.441 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.44828 254.7
[M+Na]+ 593.43022 255.8
[M-H]- 569.43372 258.4
[M+NH4]+ 588.47482 259.1
[M+K]+ 609.40416 250.2
[M+H-H2O]+ 553.43826 241.2
[M+HCOO]- 615.43920 270.0
[M+CH3COO]- 629.45485 282.8
[M+Na-2H]- 591.41567 253.3
[M]+ 570.44045 262.4
[M]- 570.44155 262.4
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.