CID 6490494

Imidazolo-oxindole pkr inhibitor c16

Structural Information

Molecular Formula
C13H8N4OS
SMILES
C1=CC2=C(C\3=C1NC(=O)/C3=C\C4=CN=CN4)SC=N2
InChI
InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3-
InChIKey
VFBGXTUGODTSPK-BAQGIRSFSA-N
Compound name
(8Z)-8-(1H-imidazol-5-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

101
Patents

268.04187 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04915 159.1
[M+Na]+ 291.03109 172.5
[M-H]- 267.03459 162.7
[M+NH4]+ 286.07569 177.7
[M+K]+ 307.00503 166.1
[M+H-H2O]+ 251.03913 153.5
[M+HCOO]- 313.04007 174.2
[M+CH3COO]- 327.05572 171.4
[M+Na-2H]- 289.01654 158.6
[M]+ 268.04132 161.2
[M]- 268.04242 161.2
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