CID 16073477

Schembl2865084

Structural Information

Molecular Formula
C20H17FN4O3
SMILES
CC1=NC(=NN1)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C20H17FN4O3/c1-10-23-19(25-24-10)14-9-16-13(8-15(14)27-3)17(20(26)22-2)18(28-16)11-4-6-12(21)7-5-11/h4-9H,1-3H3,(H,22,26)(H,23,24,25)
InChIKey
RJGJSYNILBTZPN-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

380.12848 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13576 188.6
[M+Na]+ 403.11770 199.7
[M-H]- 379.12120 196.0
[M+NH4]+ 398.16230 199.1
[M+K]+ 419.09164 194.5
[M+H-H2O]+ 363.12574 178.7
[M+HCOO]- 425.12668 208.2
[M+CH3COO]- 439.14233 199.3
[M+Na-2H]- 401.10315 188.6
[M]+ 380.12793 193.1
[M]- 380.12903 193.1
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

patents stripe