CID 4962736

5-(2-amino-1,3-thiazol-4-yl)-3-methyl-2,3-dihydro-1h-indol-2-one hydrochloride

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 153.2
[M+Na]+ 268.05151 164.4
[M-H]- 244.05501 158.2
[M+NH4]+ 263.09611 172.8
[M+K]+ 284.02545 159.0
[M+H-H2O]+ 228.05955 147.4
[M+HCOO]- 290.06049 170.3
[M+CH3COO]- 304.07614 166.0
[M+Na-2H]- 266.03696 152.6
[M]+ 245.06174 153.5
[M]- 245.06284 153.5
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

No patent data available for this compound.