CID 3044320

Piperidine, 1-((4-amino-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-5-thiazolyl)carbonyl)-

Structural Information

Molecular Formula
C16H19N3OS2
SMILES
CC1=CC=CC=C1N2C(=C(SC2=S)C(=O)N3CCCCC3)N
InChI
InChI=1S/C16H19N3OS2/c1-11-7-3-4-8-12(11)19-14(17)13(22-16(19)21)15(20)18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-10,17H2,1H3
InChIKey
VJVANJDPHGGGBU-UHFFFAOYSA-N
Compound name
[4-amino-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.09695 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10423 175.0
[M+Na]+ 356.08617 183.1
[M-H]- 332.08967 181.6
[M+NH4]+ 351.13077 188.6
[M+K]+ 372.06011 175.9
[M+H-H2O]+ 316.09421 167.6
[M+HCOO]- 378.09515 183.8
[M+CH3COO]- 392.11080 184.7
[M+Na-2H]- 354.07162 170.6
[M]+ 333.09640 172.9
[M]- 333.09750 172.9
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.