CID 9819610

2-amino-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide

Structural Information

Molecular Formula
C14H14N6OS2
SMILES
CC1=CSC(=N1)NC(=O)C2=C(C=CC(=C2)SC3=NN=CN3C)N
InChI
InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)
InChIKey
JEBOJMQHVUEKBE-UHFFFAOYSA-N
Compound name
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

346.06705 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07433 174.7
[M+Na]+ 369.05627 187.0
[M-H]- 345.05977 181.6
[M+NH4]+ 364.10087 187.4
[M+K]+ 385.03021 180.1
[M+H-H2O]+ 329.06431 167.2
[M+HCOO]- 391.06525 189.2
[M+CH3COO]- 405.08090 186.0
[M+Na-2H]- 367.04172 172.9
[M]+ 346.06650 179.4
[M]- 346.06760 179.4
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