CID 407885

Nsc10010

Structural Information

Molecular Formula
C31H40N4O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NCCCCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)OC
InChI
InChI=1S/C31H40N4O2/c1-22-18-30(26-20-24(36-3)12-14-28(26)34-22)32-16-10-8-6-5-7-9-11-17-33-31-19-23(2)35-29-15-13-25(37-4)21-27(29)31/h12-15,18-21H,5-11,16-17H2,1-4H3,(H,32,34)(H,33,35)
InChIKey
SGXXUOLJJPFQKG-UHFFFAOYSA-N
Compound name
N,N'-bis(6-methoxy-2-methylquinolin-4-yl)nonane-1,9-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

500.31512 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.32240 231.0
[M+Na]+ 523.30434 236.5
[M-H]- 499.30784 235.6
[M+NH4]+ 518.34894 236.7
[M+K]+ 539.27828 228.6
[M+H-H2O]+ 483.31238 217.5
[M+HCOO]- 545.31332 249.3
[M+CH3COO]- 559.32897 253.4
[M+Na-2H]- 521.28979 233.9
[M]+ 500.31457 238.7
[M]- 500.31567 238.7
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

patents stripe