CID 68319455

1252927-47-1

Structural Information

Molecular Formula
C20H21N7O2S
SMILES
CC1=C(C=C(C=C1)NC2=NC=CC(=N2)NC3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N
InChI
InChI=1S/C20H21N7O2S/c1-12-4-5-15(11-18(12)30(21,28)29)24-20-22-9-8-19(25-20)23-14-6-7-16-13(2)27(3)26-17(16)10-14/h4-11H,1-3H3,(H2,21,28,29)(H2,22,23,24,25)
InChIKey
XWOGXAVHJKKNPO-UHFFFAOYSA-N
Compound name
5-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

423.14774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.15502 201.2
[M+Na]+ 446.13696 212.3
[M-H]- 422.14046 208.4
[M+NH4]+ 441.18156 208.6
[M+K]+ 462.11090 204.3
[M+H-H2O]+ 406.14500 191.3
[M+HCOO]- 468.14594 217.9
[M+CH3COO]- 482.16159 210.3
[M+Na-2H]- 444.12241 205.8
[M]+ 423.14719 205.3
[M]- 423.14829 205.3
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