CID 73331364

N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1h-indazol-3-yl)furan-2-carboxamide

Structural Information

Molecular Formula
C20H14F3N3O2
SMILES
C1=CC=C2C(=C1)C(=NN2CC3=CC=C(C=C3)C(F)(F)F)NC(=O)C4=CC=CO4
InChI
InChI=1S/C20H14F3N3O2/c21-20(22,23)14-9-7-13(8-10-14)12-26-16-5-2-1-4-15(16)18(25-26)24-19(27)17-6-3-11-28-17/h1-11H,12H2,(H,24,25,27)
InChIKey
LWBFIOPAFDTCND-UHFFFAOYSA-N
Compound name
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

385.10382 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11110 185.6
[M+Na]+ 408.09304 195.4
[M-H]- 384.09654 192.0
[M+NH4]+ 403.13764 197.3
[M+K]+ 424.06698 190.2
[M+H-H2O]+ 368.10108 174.4
[M+HCOO]- 430.10202 204.3
[M+CH3COO]- 444.11767 196.0
[M+Na-2H]- 406.07849 188.1
[M]+ 385.10327 186.2
[M]- 385.10437 186.2
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