CID 3024893

2-thiazolamine, 4-(4-methoxyphenyl)-n-methyl-5-(3-pyridinyl)-

Structural Information

Molecular Formula
C16H15N3OS
SMILES
CNC1=NC(=C(S1)C2=CN=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C16H15N3OS/c1-17-16-19-14(11-5-7-13(20-2)8-6-11)15(21-16)12-4-3-9-18-10-12/h3-10H,1-2H3,(H,17,19)
InChIKey
PKDDDTJJMPPYMB-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

297.0936 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10088 166.5
[M+Na]+ 320.08282 176.2
[M-H]- 296.08632 174.7
[M+NH4]+ 315.12742 181.4
[M+K]+ 336.05676 170.5
[M+H-H2O]+ 280.09086 157.6
[M+HCOO]- 342.09180 186.2
[M+CH3COO]- 356.10745 178.6
[M+Na-2H]- 318.06827 168.8
[M]+ 297.09305 169.8
[M]- 297.09415 169.8
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