CID 364231

Nsc630105

Structural Information

Molecular Formula
C20H17ClFN5O2
SMILES
CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2Cl)C)N=NC3=CC=CC=C3F
InChI
InChI=1S/C20H17ClFN5O2/c1-12-20(25-24-17-10-6-4-8-15(17)22)13(2)27(26-12)19(29)11-18(28)23-16-9-5-3-7-14(16)21/h3-10H,11H2,1-2H3,(H,23,28)
InChIKey
WDIMUFCHGMJTJT-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-3-[4-[(2-fluorophenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.10547 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11275 198.1
[M+Na]+ 436.09469 206.9
[M-H]- 412.09819 207.5
[M+NH4]+ 431.13929 209.0
[M+K]+ 452.06863 201.0
[M+H-H2O]+ 396.10273 186.4
[M+HCOO]- 458.10367 219.2
[M+CH3COO]- 472.11932 234.5
[M+Na-2H]- 434.08014 198.3
[M]+ 413.10492 202.7
[M]- 413.10602 202.7
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.