CID 3083543

Furametpyr

Structural Information

Molecular Formula
C17H20ClN3O2
SMILES
CC1C2=C(C=CC=C2NC(=O)C3=C(N(N=C3C)C)Cl)C(O1)(C)C
InChI
InChI=1S/C17H20ClN3O2/c1-9-13(15(18)21(5)20-9)16(22)19-12-8-6-7-11-14(12)10(2)23-17(11,3)4/h6-8,10H,1-5H3,(H,19,22)
InChIKey
NRTLIYOWLVMQBO-UHFFFAOYSA-N
Compound name
5-chloro-1,3-dimethyl-N-(1,1,3-trimethyl-3H-2-benzofuran-4-yl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

29886
Patents

333.1244 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13168 178.4
[M+Na]+ 356.11362 190.1
[M-H]- 332.11712 185.5
[M+NH4]+ 351.15822 196.5
[M+K]+ 372.08756 185.6
[M+H-H2O]+ 316.12166 172.3
[M+HCOO]- 378.12260 194.1
[M+CH3COO]- 392.13825 213.0
[M+Na-2H]- 354.09907 178.0
[M]+ 333.12385 184.6
[M]- 333.12495 184.6
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