CID 16072542

N,n'-bis[2,8-bis(trifluoromethyl)-4-quinolyl]nonane-1,9-diamine

Structural Information

Molecular Formula
C31H28F12N4
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2NCCCCCCCCCNC3=CC(=NC4=C3C=CC=C4C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C31H28F12N4/c32-28(33,34)20-12-8-10-18-22(16-24(30(38,39)40)46-26(18)20)44-14-6-4-2-1-3-5-7-15-45-23-17-25(31(41,42)43)47-27-19(23)11-9-13-21(27)29(35,36)37/h8-13,16-17H,1-7,14-15H2,(H,44,46)(H,45,47)
InChIKey
IWYDMBDZHIZKBO-UHFFFAOYSA-N
Compound name
N,N'-bis[2,8-bis(trifluoromethyl)quinolin-4-yl]nonane-1,9-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

684.2122 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 685.21948 268.3
[M+Na]+ 707.20142 277.1
[M-H]- 683.20492 259.2
[M+NH4]+ 702.24602 266.9
[M+K]+ 723.17536 265.0
[M+H-H2O]+ 667.20946 247.0
[M+HCOO]- 729.21040 266.9
[M+CH3COO]- 743.22605 277.2
[M+Na-2H]- 705.18687 267.3
[M]+ 684.21165 257.0
[M]- 684.21275 257.0
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.