CID 11546108

5-methyl-1-(8-trifluoromethyl-quinolin-4-yl)-1h-[1,2,3]triazole-4-carboxylic acid furan-2-ylmethylene-hydrazide

Structural Information

Molecular Formula
C19H13F3N6O2
SMILES
CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)N/N=C/C4=CC=CO4
InChI
InChI=1S/C19H13F3N6O2/c1-11-16(18(29)26-24-10-12-4-3-9-30-12)25-27-28(11)15-7-8-23-17-13(15)5-2-6-14(17)19(20,21)22/h2-10H,1H3,(H,26,29)/b24-10+
InChIKey
FPOZVWDPTJKVEP-YSURURNPSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.11248 192.9
[M+Na]+ 437.09442 203.7
[M-H]- 413.09792 198.7
[M+NH4]+ 432.13902 201.2
[M+K]+ 453.06836 198.3
[M+H-H2O]+ 397.10246 180.0
[M+HCOO]- 459.10340 211.8
[M+CH3COO]- 473.11905 202.6
[M+Na-2H]- 435.07987 196.2
[M]+ 414.10465 194.8
[M]- 414.10575 194.8
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.