CID 11590239

(e)-3-(4-methoxyphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one

Structural Information

Molecular Formula
C23H17F3N4O2
SMILES
CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)/C=C/C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H17F3N4O2/c1-14-21(20(31)11-8-15-6-9-16(32-2)10-7-15)28-29-30(14)19-12-13-27-22-17(19)4-3-5-18(22)23(24,25)26/h3-13H,1-2H3/b11-8+
InChIKey
FDXCZRFWTGFGHO-DHZHZOJOSA-N
Compound name
(E)-3-(4-methoxyphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.13037 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.13765 206.4
[M+Na]+ 461.11959 217.5
[M-H]- 437.12309 209.2
[M+NH4]+ 456.16419 213.0
[M+K]+ 477.09353 208.8
[M+H-H2O]+ 421.12763 192.1
[M+HCOO]- 483.12857 219.9
[M+CH3COO]- 497.14422 214.3
[M+Na-2H]- 459.10504 207.2
[M]+ 438.12982 207.6
[M]- 438.13092 207.6
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.