CID 16072540

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

Structural Information

Molecular Formula
C24H14F12N4
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2NCCNC3=CC(=NC4=C3C=CC=C4C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C24H14F12N4/c25-21(26,27)13-5-1-3-11-15(9-17(23(31,32)33)39-19(11)13)37-7-8-38-16-10-18(24(34,35)36)40-20-12(16)4-2-6-14(20)22(28,29)30/h1-6,9-10H,7-8H2,(H,37,39)(H,38,40)
InChIKey
MQXOOIOZHHWAGX-UHFFFAOYSA-N
Compound name
N,N'-bis[2,8-bis(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.10266 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.10994 238.7
[M+Na]+ 609.09188 250.6
[M-H]- 585.09538 231.0
[M+NH4]+ 604.13648 241.2
[M+K]+ 625.06582 239.6
[M+H-H2O]+ 569.09992 218.8
[M+HCOO]- 631.10086 239.7
[M+CH3COO]- 645.11651 258.9
[M+Na-2H]- 607.07733 241.0
[M]+ 586.10211 225.4
[M]- 586.10321 225.4
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.