CID 3049368

Brn 1127800

Structural Information

Molecular Formula
C11H12N4OS2
SMILES
CN1C(=C(SC1=S)C(=O)NNC2=CC=CC=C2)N
InChI
InChI=1S/C11H12N4OS2/c1-15-9(12)8(18-11(15)17)10(16)14-13-7-5-3-2-4-6-7/h2-6,13H,12H2,1H3,(H,14,16)
InChIKey
WKCHAUVGDXXOOS-UHFFFAOYSA-N
Compound name
4-amino-3-methyl-N'-phenyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.04526 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05254 159.0
[M+Na]+ 303.03448 168.0
[M+NH4]+ 298.07908 166.4
[M+K]+ 319.00842 160.9
[M-H]- 279.03798 163.0
[M+Na-2H]- 301.01993 164.5
[M]+ 280.04471 162.0
[M]- 280.04581 162.0
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.