CID 3041680

54708-72-4

Structural Information

Molecular Formula
C13H14ClN3O2
SMILES
CCNC(=O)C1=NN(C(=C1)OC)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H14ClN3O2/c1-3-15-13(18)11-8-12(19-2)17(16-11)10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H,15,18)
InChIKey
HOARRELMHKQDGK-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-N-ethyl-5-methoxypyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.07745 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08473 161.8
[M+Na]+ 302.06667 171.3
[M-H]- 278.07017 166.5
[M+NH4]+ 297.11127 177.8
[M+K]+ 318.04061 166.7
[M+H-H2O]+ 262.07471 153.7
[M+HCOO]- 324.07565 180.7
[M+CH3COO]- 338.09130 199.7
[M+Na-2H]- 300.05212 164.5
[M]+ 279.07690 166.2
[M]- 279.07800 166.2
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

patents stripe