CID 88915

Dtxsid70944048

Structural Information

Molecular Formula
C11H11N3OS
SMILES
CC1=CC(=CC=C1)NC(=O)C2=CN=C(S2)N
InChI
InChI=1S/C11H11N3OS/c1-7-3-2-4-8(5-7)14-10(15)9-6-13-11(12)16-9/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKey
VTPFBKSJLIUDRD-UHFFFAOYSA-N
Compound name
2-amino-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

602
Patents

233.06229 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.069566 149.8
[M+Na]+ 256.051508 158.3
[M-H]- 232.055014 155.7
[M+NH4]+ 251.096113 168.1
[M+K]+ 272.025448 154.1
[M+H-H2O]+ 216.059550 142.5
[M+HCOO]- 278.060491 170.4
[M+CH3COO]- 292.076141 192.1
[M+Na-2H]- 254.036956 151.5
[M]+ 233.06174142 149.9
[M]- 233.06283858 149.9
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