CID 329577

Nsc313158

Structural Information

Molecular Formula
C32H44N6
SMILES
CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NCCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N(C)C
InChI
InChI=1S/C32H44N6/c1-23-19-29(27-15-13-25(37(3)4)21-31(27)35-23)33-17-11-9-7-8-10-12-18-34-30-20-24(2)36-32-22-26(38(5)6)14-16-28(30)32/h13-16,19-22H,7-12,17-18H2,1-6H3,(H,33,35)(H,34,36)
InChIKey
IRCZAKCZHXNLMF-UHFFFAOYSA-N
Compound name
4-N-[8-[[7-(dimethylamino)-2-methylquinolin-4-yl]amino]octyl]-7-N,7-N,2-trimethylquinoline-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

512.36273 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.37001 236.1
[M+Na]+ 535.35195 240.0
[M-H]- 511.35545 243.1
[M+NH4]+ 530.39655 242.0
[M+K]+ 551.32589 233.6
[M+H-H2O]+ 495.35999 222.2
[M+HCOO]- 557.36093 256.7
[M+CH3COO]- 571.37658 268.4
[M+Na-2H]- 533.33740 238.3
[M]+ 512.36218 242.6
[M]- 512.36328 242.6
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.