CID 3047055

Brn 0935241

Structural Information

Molecular Formula
C19H20ClN3O2
SMILES
CC(C)OC1=CC=C(C=C1)NC(=O)N2CCC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClN3O2/c1-13(2)25-17-9-7-16(8-10-17)21-19(24)23-12-11-18(22-23)14-3-5-15(20)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKey
WUOLJLFSBZHTOM-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1244 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13168 184.4
[M+Na]+ 380.11362 191.1
[M-H]- 356.11712 191.5
[M+NH4]+ 375.15822 196.5
[M+K]+ 396.08756 185.5
[M+H-H2O]+ 340.12166 174.5
[M+HCOO]- 402.12260 200.1
[M+CH3COO]- 416.13825 214.0
[M+Na-2H]- 378.09907 184.1
[M]+ 357.12385 186.5
[M]- 357.12495 186.5
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.