CID 4658496

5-methyl-n-[4-(propan-2-yl)phenyl]-1,3-thiazolidin-2-imine

Structural Information

Molecular Formula
C13H18N2S
SMILES
CC1CN=C(S1)NC2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C13H18N2S/c1-9(2)11-4-6-12(7-5-11)15-13-14-8-10(3)16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKey
IYNRNHQPHMUBKD-UHFFFAOYSA-N
Compound name
5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.11906 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12634 153.3
[M+Na]+ 257.10828 160.8
[M-H]- 233.11178 159.2
[M+NH4]+ 252.15288 172.4
[M+K]+ 273.08222 157.0
[M+H-H2O]+ 217.11632 146.3
[M+HCOO]- 279.11726 171.1
[M+CH3COO]- 293.13291 192.9
[M+Na-2H]- 255.09373 153.3
[M]+ 234.11851 153.8
[M]- 234.11961 153.8
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

No patent data available for this compound.