CID 3013455

Schembl5562279

Structural Information

Molecular Formula
C15H18Cl2N2O2
SMILES
CCCC1=C(N(N=C1CO)CC)OC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H18Cl2N2O2/c1-3-5-13-14(9-20)18-19(4-2)15(13)21-12-7-10(16)6-11(17)8-12/h6-8,20H,3-5,9H2,1-2H3
InChIKey
JXPNVHVMTUZKRH-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenoxy)-1-ethyl-4-propylpyrazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

328.07452 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08180 173.2
[M+Na]+ 351.06374 184.2
[M-H]- 327.06724 175.8
[M+NH4]+ 346.10834 187.8
[M+K]+ 367.03768 177.3
[M+H-H2O]+ 311.07178 166.0
[M+HCOO]- 373.07272 184.3
[M+CH3COO]- 387.08837 205.5
[M+Na-2H]- 349.04919 172.7
[M]+ 328.07397 180.1
[M]- 328.07507 180.1
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.