CID 364233

Nsc630107

Structural Information

Molecular Formula
C21H20FN5O3
SMILES
CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2OC)C)N=NC3=CC=CC=C3F
InChI
InChI=1S/C21H20FN5O3/c1-13-21(25-24-16-9-5-4-8-15(16)22)14(2)27(26-13)20(29)12-19(28)23-17-10-6-7-11-18(17)30-3/h4-11H,12H2,1-3H3,(H,23,28)
InChIKey
YVURVOGOMDAWGV-UHFFFAOYSA-N
Compound name
3-[4-[(2-fluorophenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.15503 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16231 197.0
[M+Na]+ 432.14425 204.3
[M-H]- 408.14775 206.5
[M+NH4]+ 427.18885 207.0
[M+K]+ 448.11819 200.5
[M+H-H2O]+ 392.15229 184.6
[M+HCOO]- 454.15323 222.5
[M+CH3COO]- 468.16888 236.2
[M+Na-2H]- 430.12970 197.5
[M]+ 409.15448 200.9
[M]- 409.15558 200.9
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

No patent data available for this compound.