CID 29031200

1036462-30-2

Structural Information

Molecular Formula

C₁₁H₁₃N₃S

SMILES

CC1=CSC(=N1)NCCC2=CC=CC=N2

InChI

InChI=1S/C11H13N3S/c1-9-8-15-11(14-9)13-7-5-10-4-2-3-6-12-10/h2-4,6,8H,5,7H2,1H3,(H,13,14)

InChIKey

YCTXMAXMHYXLFX-UHFFFAOYSA-N

Compound name

4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.08302 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.090296	146.0
[M+Na]+	242.072238	154.8
[M-H]-	218.075744	150.6
[M+NH4]+	237.116843	164.1
[M+K]+	258.046178	150.6
[M+H-H2O]+	202.080280	138.0
[M+HCOO]-	264.081221	165.7
[M+CH3COO]-	278.096871	158.8
[M+Na-2H]-	240.057686	149.6
[M]+	219.08247142	147.9
[M]-	219.08356858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe