CID 66553206

Isoflucypram

Structural Information

Molecular Formula
C19H21ClF3N3O
SMILES
CC(C)C1=C(C=C(C=C1)Cl)CN(C2CC2)C(=O)C3=C(N(N=C3C(F)F)C)F
InChI
InChI=1S/C19H21ClF3N3O/c1-10(2)14-7-4-12(20)8-11(14)9-26(13-5-6-13)19(27)15-16(17(21)22)24-25(3)18(15)23/h4,7-8,10,13,17H,5-6,9H2,1-3H3
InChIKey
JEFUQUGZXLEHLD-UHFFFAOYSA-N
Compound name
N-[(5-chloro-2-propan-2-ylphenyl)methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4673
Patents

399.13254 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.13982 182.7
[M+Na]+ 422.12176 192.4
[M-H]- 398.12526 188.0
[M+NH4]+ 417.16636 189.9
[M+K]+ 438.09570 185.2
[M+H-H2O]+ 382.12980 171.8
[M+HCOO]- 444.13074 195.6
[M+CH3COO]- 458.14639 230.4
[M+Na-2H]- 420.10721 177.4
[M]+ 399.13199 186.7
[M]- 399.13309 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

literature stripe

Patent stripe

patents stripe