CID 473781

N-(5-methyl-6-thioxo-1,3,5-thiadiazinan-3-yl)pyridine-4-carboxamide

Structural Information

Molecular Formula
C10H12N4OS2
SMILES
CN1CN(CSC1=S)NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C10H12N4OS2/c1-13-6-14(7-17-10(13)16)12-9(15)8-2-4-11-5-3-8/h2-5H,6-7H2,1H3,(H,12,15)
InChIKey
NHPVEBXJKMHNNK-UHFFFAOYSA-N
Compound name
N-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.04526 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05254 155.2
[M+Na]+ 291.03448 162.3
[M-H]- 267.03798 157.1
[M+NH4]+ 286.07908 167.9
[M+K]+ 307.00842 156.5
[M+H-H2O]+ 251.04252 147.1
[M+HCOO]- 313.04346 162.7
[M+CH3COO]- 327.05911 164.8
[M+Na-2H]- 289.01993 155.7
[M]+ 268.04471 152.6
[M]- 268.04581 152.6
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.