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

33847
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.