CID 70652048

Inpyrfluxam

Structural Information

Molecular Formula
C18H21F2N3O
SMILES
C[C@@H]1CC(C2=C1C(=CC=C2)NC(=O)C3=CN(N=C3C(F)F)C)(C)C
InChI
InChI=1S/C18H21F2N3O/c1-10-8-18(2,3)12-6-5-7-13(14(10)12)21-17(24)11-9-23(4)22-15(11)16(19)20/h5-7,9-10,16H,8H2,1-4H3,(H,21,24)/t10-/m1/s1
InChIKey
YTCIYOXHHQLDEI-SNVBAGLBSA-N
Compound name
3-(difluoromethyl)-1-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4551
Patents

333.16528 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.17256 176.8
[M+Na]+ 356.15450 186.2
[M-H]- 332.15800 180.4
[M+NH4]+ 351.19910 194.9
[M+K]+ 372.12844 181.4
[M+H-H2O]+ 316.16254 168.0
[M+HCOO]- 378.16348 194.5
[M+CH3COO]- 392.17913 215.1
[M+Na-2H]- 354.13995 174.3
[M]+ 333.16473 176.3
[M]- 333.16583 176.3
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