CID 704473

Stf-62247

Structural Information

Molecular Formula
C15H13N3S
SMILES
CC1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=NC=C3
InChI
InChI=1S/C15H13N3S/c1-11-3-2-4-13(9-11)17-15-18-14(10-19-15)12-5-7-16-8-6-12/h2-10H,1H3,(H,17,18)
InChIKey
KATNUHQNJGNLPW-UHFFFAOYSA-N
Compound name
N-(3-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

40
Patents

267.083 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09028 158.7
[M+Na]+ 290.07222 174.0
[M+NH4]+ 285.11682 168.3
[M+K]+ 306.04616 165.1
[M-H]- 266.07572 165.6
[M+Na-2H]- 288.05767 170.0
[M]+ 267.08245 163.4
[M]- 267.08355 163.4
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