CID 91844684

Np-g2-044

Structural Information

Molecular Formula
C21H16F3N3O2
SMILES
CC1=C(C=CO1)C(=O)NC2=NN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H16F3N3O2/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)
InChIKey
XLLRLAABUFOJPC-UHFFFAOYSA-N
Compound name
2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

22
Patents

399.11948 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12676 191.9
[M+Na]+ 422.10870 202.6
[M+NH4]+ 417.15330 196.2
[M+K]+ 438.08264 200.0
[M-H]- 398.11220 193.0
[M+Na-2H]- 420.09415 197.1
[M]+ 399.11893 193.5
[M]- 399.12003 193.5
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

patents stripe