CID 6419747

Syk inhibitor

Structural Information

Molecular Formula
C18H15N3O3S
SMILES
CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N)NC3=O
InChI
InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-
InChIKey
MLKHXLFEYOOYEY-NVNXTCNLSA-N
Compound name
(3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

432
Patents

353.0834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09068 181.2
[M+Na]+ 376.07262 193.2
[M+NH4]+ 371.11722 187.7
[M+K]+ 392.04656 189.1
[M-H]- 352.07612 183.1
[M+Na-2H]- 374.05807 185.3
[M]+ 353.08285 183.7
[M]- 353.08395 183.7
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