CID 452533

4(4pyridin)-2setnme2-thiazole

Structural Information

Molecular Formula
C12H15N3S2
SMILES
CN(C)CCSC1=NC(=CS1)C2=CC=NC=C2
InChI
InChI=1S/C12H15N3S2/c1-15(2)7-8-16-12-14-11(9-17-12)10-3-5-13-6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKey
VQVFEOWWKRLYCL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.07074 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07802 155.8
[M+Na]+ 288.05996 164.8
[M-H]- 264.06346 161.5
[M+NH4]+ 283.10456 173.0
[M+K]+ 304.03390 160.4
[M+H-H2O]+ 248.06800 148.0
[M+HCOO]- 310.06894 170.0
[M+CH3COO]- 324.08459 167.9
[M+Na-2H]- 286.04541 156.2
[M]+ 265.07019 160.2
[M]- 265.07129 160.2
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

No patent data available for this compound.