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 158.4
[M+Na]+ 303.03448 167.2
[M-H]- 279.03798 163.9
[M+NH4]+ 298.07908 174.7
[M+K]+ 319.00842 160.5
[M+H-H2O]+ 263.04252 151.2
[M+HCOO]- 325.04346 174.0
[M+CH3COO]- 339.05911 202.3
[M+Na-2H]- 301.01993 158.7
[M]+ 280.04471 158.4
[M]- 280.04581 158.4
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.