CID 25229552

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

Structural Information

Molecular Formula
C15H16N6OS2
SMILES
CC1=CSC(=N1)NC(=O)C2=C(C=CC(=C2)SC3=NN=CN3C)NC
InChI
InChI=1S/C15H16N6OS2/c1-9-7-23-14(18-9)19-13(22)11-6-10(4-5-12(11)16-2)24-15-20-17-8-21(15)3/h4-8,16H,1-3H3,(H,18,19,22)
InChIKey
XRJAKERBMMBUGR-UHFFFAOYSA-N
Compound name
2-(methylamino)-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

1
References

2
Patents

360.0827 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08998 178.8
[M+Na]+ 383.07192 190.6
[M-H]- 359.07542 185.9
[M+NH4]+ 378.11652 191.1
[M+K]+ 399.04586 183.8
[M+H-H2O]+ 343.07996 171.0
[M+HCOO]- 405.08090 193.5
[M+CH3COO]- 419.09655 189.8
[M+Na-2H]- 381.05737 177.5
[M]+ 360.08215 184.7
[M]- 360.08325 184.7
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