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]+ 235.126336 153.3
[M+Na]+ 257.108278 160.8
[M-H]- 233.111784 159.2
[M+NH4]+ 252.152883 172.4
[M+K]+ 273.082218 157.0
[M+H-H2O]+ 217.116320 146.3
[M+HCOO]- 279.117261 171.1
[M+CH3COO]- 293.132911 192.9
[M+Na-2H]- 255.093726 153.3
[M]+ 234.11851142 153.8
[M]- 234.11960858 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.