CID 11692245

N-[(e)-(4,5-dimethoxy-2-nitro-phenyl)methyleneamino]-5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazole-4-carboxamide

Structural Information

Molecular Formula
C23H18F3N7O5
SMILES
CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)N/N=C/C4=CC(=C(C=C4[N+](=O)[O-])OC)OC
InChI
InChI=1S/C23H18F3N7O5/c1-12-20(22(34)30-28-11-13-9-18(37-2)19(38-3)10-17(13)33(35)36)29-31-32(12)16-7-8-27-21-14(16)5-4-6-15(21)23(24,25)26/h4-11H,1-3H3,(H,30,34)/b28-11+
InChIKey
FUOZUEWOEDCVNM-IPBVOBEMSA-N
Compound name
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-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

529.13214 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.13942 219.8
[M+Na]+ 552.12136 227.4
[M-H]- 528.12486 224.9
[M+NH4]+ 547.16596 221.6
[M+K]+ 568.09530 217.7
[M+H-H2O]+ 512.12940 209.3
[M+HCOO]- 574.13034 237.6
[M+CH3COO]- 588.14599 246.2
[M+Na-2H]- 550.10681 226.1
[M]+ 529.13159 221.4
[M]- 529.13269 221.4
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.