CID 3075574

1-methyl-5-(4-methylphenyl)-2-imidazolidinethione

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]+ 207.09505 145.3
[M+Na]+ 229.07699 154.6
[M-H]- 205.08049 148.7
[M+NH4]+ 224.12159 164.0
[M+K]+ 245.05093 149.6
[M+H-H2O]+ 189.08503 138.7
[M+HCOO]- 251.08597 159.8
[M+CH3COO]- 265.10162 157.6
[M+Na-2H]- 227.06244 144.5
[M]+ 206.08722 143.5
[M]- 206.08832 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.