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]+ 207.095046 143.9
[M+Na]+ 229.076988 152.6
[M-H]- 205.080494 150.0
[M+NH4]+ 224.121593 164.2
[M+K]+ 245.050928 148.8
[M+H-H2O]+ 189.085030 137.1
[M+HCOO]- 251.085971 163.4
[M+CH3COO]- 265.101621 157.3
[M+Na-2H]- 227.062436 145.9
[M]+ 206.08722142 144.3
[M]- 206.08831858 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.