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

literature stripe

Patent stripe

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