CID 364229

Nsc630103

Structural Information

Molecular Formula
C20H18FN5O2
SMILES
CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2)C)N=NC3=CC=CC=C3F
InChI
InChI=1S/C20H18FN5O2/c1-13-20(24-23-17-11-7-6-10-16(17)21)14(2)26(25-13)19(28)12-18(27)22-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,22,27)
InChIKey
NWLBTXAHEMTUQM-UHFFFAOYSA-N
Compound name
3-[4-[(2-fluorophenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-3-oxo-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14444 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.15172 189.4
[M+Na]+ 402.13366 196.6
[M-H]- 378.13716 198.8
[M+NH4]+ 397.17826 200.5
[M+K]+ 418.10760 192.2
[M+H-H2O]+ 362.14170 177.1
[M+HCOO]- 424.14264 215.2
[M+CH3COO]- 438.15829 229.8
[M+Na-2H]- 400.11911 191.0
[M]+ 379.14389 191.2
[M]- 379.14499 191.2
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.