CID 370073

Nsc642632

Structural Information

Molecular Formula
C24H24N6O6S4
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N=C(S2)C3=NC(=C(S3)C(=O)NNS(=O)(=O)C4=CC=C(C=C4)C)C)C
InChI
InChI=1S/C24H24N6O6S4/c1-13-5-9-17(10-6-13)39(33,34)29-27-21(31)19-15(3)25-23(37-19)24-26-16(4)20(38-24)22(32)28-30-40(35,36)18-11-7-14(2)8-12-18/h5-12,29-30H,1-4H3,(H,27,31)(H,28,32)
InChIKey
VWRTWNGUYRVLDU-UHFFFAOYSA-N
Compound name
4-methyl-2-[4-methyl-5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1,3-thiazol-2-yl]-N'-(4-methylphenyl)sulfonyl-1,3-thiazole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.064 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.07128 243.3
[M+Na]+ 643.05322 248.8
[M-H]- 619.05672 251.1
[M+NH4]+ 638.09782 245.1
[M+K]+ 659.02716 239.3
[M+H-H2O]+ 603.06126 236.8
[M+HCOO]- 665.06220 246.4
[M+CH3COO]- 679.07785 258.9
[M+Na-2H]- 641.03867 249.0
[M]+ 620.06345 246.1
[M]- 620.06455 246.1
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.