CID 16728103

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

Structural Information

Molecular Formula
C15H15F6N3
SMILES
CN(C)CCNC1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H15F6N3/c1-24(2)7-6-22-11-8-12(15(19,20)21)23-13-9(11)4-3-5-10(13)14(16,17)18/h3-5,8H,6-7H2,1-2H3,(H,22,23)
InChIKey
WPEMZYRNEUSCLQ-UHFFFAOYSA-N
Compound name
N-[2,8-bis(trifluoromethyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.117 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.12428 177.8
[M+Na]+ 374.10622 186.6
[M-H]- 350.10972 174.7
[M+NH4]+ 369.15082 191.0
[M+K]+ 390.08016 181.8
[M+H-H2O]+ 334.11426 165.0
[M+HCOO]- 396.11520 191.5
[M+CH3COO]- 410.13085 222.1
[M+Na-2H]- 372.09167 181.6
[M]+ 351.11645 171.6
[M]- 351.11755 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.