CID 2802272

5-methyl-n-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C11H14N2S
SMILES
CC1CN=C(S1)NC2=CC=CC(=C2)C
InChI
InChI=1S/C11H14N2S/c1-8-4-3-5-10(6-8)13-11-12-7-9(2)14-11/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey
NBNOKMADYAZRNP-UHFFFAOYSA-N
Compound name
5-methyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08777 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09505 143.9
[M+Na]+ 229.07699 152.6
[M-H]- 205.08049 150.0
[M+NH4]+ 224.12159 164.2
[M+K]+ 245.05093 148.8
[M+H-H2O]+ 189.08503 137.1
[M+HCOO]- 251.08597 163.4
[M+CH3COO]- 265.10162 157.3
[M+Na-2H]- 227.06244 145.9
[M]+ 206.08722 144.3
[M]- 206.08832 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.