CID 3075574

186424-12-4

Structural Information

Molecular Formula
C11H14N2S
SMILES
CC1=CC=C(C=C1)C2CNC(=S)N2C
InChI
InChI=1S/C11H14N2S/c1-8-3-5-9(6-4-8)10-7-12-11(14)13(10)2/h3-6,10H,7H2,1-2H3,(H,12,14)
InChIKey
PBVUYLHTHWWOJQ-UHFFFAOYSA-N
Compound name
1-methyl-5-(4-methylphenyl)imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08777 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.095046 145.3
[M+Na]+ 229.076988 154.6
[M-H]- 205.080494 148.7
[M+NH4]+ 224.121593 164.0
[M+K]+ 245.050928 149.6
[M+H-H2O]+ 189.085030 138.7
[M+HCOO]- 251.085971 159.8
[M+CH3COO]- 265.101621 157.6
[M+Na-2H]- 227.062436 144.5
[M]+ 206.08722142 143.5
[M]- 206.08831858 143.5
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.