CID 4962736

2171878-15-0

Structural Information

Molecular Formula
C12H11N3OS
SMILES
CC1C2=C(C=CC(=C2)C3=CSC(=N3)N)NC1=O
InChI
InChI=1S/C12H11N3OS/c1-6-8-4-7(10-5-17-12(13)15-10)2-3-9(8)14-11(6)16/h2-6H,1H3,(H2,13,15)(H,14,16)
InChIKey
PNFNFZMBTKZVQC-UHFFFAOYSA-N
Compound name
5-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

245.06229 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06957 153.4
[M+Na]+ 268.05151 164.7
[M+NH4]+ 263.09611 161.8
[M+K]+ 284.02545 160.5
[M-H]- 244.05501 156.3
[M+Na-2H]- 266.03696 158.0
[M]+ 245.06174 156.1
[M]- 245.06284 156.1
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

No patent data available for this compound.