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]+ 246.069566 153.2
[M+Na]+ 268.051508 164.4
[M-H]- 244.055014 158.2
[M+NH4]+ 263.096113 172.8
[M+K]+ 284.025448 159.0
[M+H-H2O]+ 228.059550 147.4
[M+HCOO]- 290.060491 170.3
[M+CH3COO]- 304.076141 166.0
[M+Na-2H]- 266.036956 152.6
[M]+ 245.06174142 153.5
[M]- 245.06283858 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.