CID 10223146

Jte 013

Structural Information

Molecular Formula
C17H19Cl2N7O
SMILES
CC1=NN(C2=C1C(=CC(=N2)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C(C)C)C
InChI
InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)
InChIKey
RNSLRQNDXRSASX-UHFFFAOYSA-N
Compound name
1-(2,6-dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

98
References

104
Patents

407.1028 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.11008 193.3
[M+Na]+ 430.09202 207.1
[M+NH4]+ 425.13662 198.8
[M+K]+ 446.06596 202.0
[M-H]- 406.09552 196.3
[M+Na-2H]- 428.07747 199.0
[M]+ 407.10225 196.5
[M]- 407.10335 196.5
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