CID 16073452

Schembl2863055

Structural Information

Molecular Formula
C19H15FN4O3
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3=NC=NN3)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H15FN4O3/c1-21-19(25)16-12-7-14(26-2)13(18-22-9-23-24-18)8-15(12)27-17(16)10-3-5-11(20)6-4-10/h3-9H,1-2H3,(H,21,25)(H,22,23,24)
InChIKey
QJPYJXDLMQKNNX-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-(1H-1,2,4-triazol-5-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

366.11282 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12010 183.0
[M+Na]+ 389.10204 193.7
[M-H]- 365.10554 190.1
[M+NH4]+ 384.14664 193.8
[M+K]+ 405.07598 188.7
[M+H-H2O]+ 349.11008 172.9
[M+HCOO]- 411.11102 203.0
[M+CH3COO]- 425.12667 193.9
[M+Na-2H]- 387.08749 184.3
[M]+ 366.11227 186.7
[M]- 366.11337 186.7
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