CID 164109988

3-(6-chloropyridin-3-yl)-n-[4-methyl-3-(pyridin-4-yl)-1h-pyrazol-5-yl]propanamide

Structural Information

Molecular Formula
C17H16ClN5O
SMILES
CC1=C(NN=C1NC(=O)CCC2=CN=C(C=C2)Cl)C3=CC=NC=C3
InChI
InChI=1S/C17H16ClN5O/c1-11-16(13-6-8-19-9-7-13)22-23-17(11)21-15(24)5-3-12-2-4-14(18)20-10-12/h2,4,6-10H,3,5H2,1H3,(H2,21,22,23,24)
InChIKey
XWCBVPVOANVVQI-UHFFFAOYSA-N
Compound name
3-(6-chloropyridin-3-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

341.10434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11162 178.9
[M+Na]+ 364.09356 187.4
[M-H]- 340.09706 182.4
[M+NH4]+ 359.13816 188.2
[M+K]+ 380.06750 179.5
[M+H-H2O]+ 324.10160 167.7
[M+HCOO]- 386.10254 193.1
[M+CH3COO]- 400.11819 188.1
[M+Na-2H]- 362.07901 181.4
[M]+ 341.10379 179.9
[M]- 341.10489 179.9
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