CID 4052134

(5-amino-1-(3-chlorophenyl)-1h-pyrazol-4-yl)(4-methoxyphenyl)methanone

Structural Information

Molecular Formula
C17H14ClN3O2
SMILES
COC1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)N
InChI
InChI=1S/C17H14ClN3O2/c1-23-14-7-5-11(6-8-14)16(22)15-10-20-21(17(15)19)13-4-2-3-12(18)9-13/h2-10H,19H2,1H3
InChIKey
SPLCDBOMOYLYEE-UHFFFAOYSA-N
Compound name
[5-amino-1-(3-chlorophenyl)pyrazol-4-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.07745 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08473 174.7
[M+Na]+ 350.06667 184.5
[M-H]- 326.07017 182.3
[M+NH4]+ 345.11127 188.1
[M+K]+ 366.04061 178.2
[M+H-H2O]+ 310.07471 165.4
[M+HCOO]- 372.07565 192.9
[M+CH3COO]- 386.09130 186.1
[M+Na-2H]- 348.05212 175.8
[M]+ 327.07690 177.7
[M]- 327.07800 177.7
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.