CID 3041682

54708-75-7

Structural Information

Molecular Formula
C15H18ClN3O2
SMILES
CCN(CC)C(=O)C1=NN(C(=C1)OC)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H18ClN3O2/c1-4-18(5-2)15(20)13-10-14(21-3)19(17-13)12-8-6-7-11(16)9-12/h6-10H,4-5H2,1-3H3
InChIKey
ZSEMGBZTPCSDPF-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-N,N-diethyl-5-methoxypyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.10876 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11604 170.6
[M+Na]+ 330.09798 179.3
[M-H]- 306.10148 176.4
[M+NH4]+ 325.14258 186.0
[M+K]+ 346.07192 175.6
[M+H-H2O]+ 290.10602 161.9
[M+HCOO]- 352.10696 189.3
[M+CH3COO]- 366.12261 209.0
[M+Na-2H]- 328.08343 171.5
[M]+ 307.10821 177.0
[M]- 307.10931 177.0
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.