CID 46944259

1254473-64-7

Structural Information

Molecular Formula
C21H19Cl2N5O2
SMILES
C[C@H](C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3/C=C/C4=CN(N=C4)CCO
InChI
InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
InChIKey
GKJCVYLDJWTWQU-CXLRFSCWSA-N
Compound name
2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

159
Patents

443.09158 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.09886 202.4
[M+Na]+ 466.08080 218.2
[M+NH4]+ 461.12540 207.6
[M+K]+ 482.05474 213.4
[M-H]- 442.08430 204.4
[M+Na-2H]- 464.06625 208.6
[M]+ 443.09103 205.7
[M]- 443.09213 205.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe