CID 16787278

N-(4-amino-2-chlorophenyl)-2-(3,5-dimethyl-1h-pyrazol-1-yl)propanamide

Structural Information

Molecular Formula
C14H17ClN4O
SMILES
CC1=CC(=NN1C(C)C(=O)NC2=C(C=C(C=C2)N)Cl)C
InChI
InChI=1S/C14H17ClN4O/c1-8-6-9(2)19(18-8)10(3)14(20)17-13-5-4-11(16)7-12(13)15/h4-7,10H,16H2,1-3H3,(H,17,20)
InChIKey
KQXMBDUGMHYQOJ-UHFFFAOYSA-N
Compound name
N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1091 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11638 168.9
[M+Na]+ 315.09832 177.7
[M-H]- 291.10182 173.4
[M+NH4]+ 310.14292 184.0
[M+K]+ 331.07226 172.6
[M+H-H2O]+ 275.10636 160.9
[M+HCOO]- 337.10730 186.6
[M+CH3COO]- 351.12295 207.3
[M+Na-2H]- 313.08377 168.5
[M]+ 292.10855 170.4
[M]- 292.10965 170.4
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.