CID 68920883

Schembl4121879

Structural Information

Molecular Formula
C26H17Cl2F3N6O
SMILES
CN(C1=CC=CC=N1)NC(=O)C2=C3N=CC(=C(N3N=C2C(F)(F)F)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl
InChI
InChI=1S/C26H17Cl2F3N6O/c1-36(20-8-4-5-13-32-20)35-25(38)21-23(26(29,30)31)34-37-22(15-9-11-16(27)12-10-15)18(14-33-24(21)37)17-6-2-3-7-19(17)28/h2-14H,1H3,(H,35,38)
InChIKey
BOANGAFVCNVTRF-UHFFFAOYSA-N
Compound name
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

556.0793 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.08658 225.3
[M+Na]+ 579.06852 235.9
[M-H]- 555.07202 231.5
[M+NH4]+ 574.11312 228.2
[M+K]+ 595.04246 226.2
[M+H-H2O]+ 539.07656 209.3
[M+HCOO]- 601.07750 231.4
[M+CH3COO]- 615.09315 231.5
[M+Na-2H]- 577.05397 226.4
[M]+ 556.07875 229.3
[M]- 556.07985 229.3
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

patents stripe