CID 370069

Nsc642628

Structural Information

Molecular Formula
C24H24N8O4S2
SMILES
CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)NNC(=O)C[N+]3=CC=CC=C3)C)C(=O)NNC(=O)C[N+]4=CC=CC=C4
InChI
InChI=1S/C24H22N8O4S2/c1-15-19(21(35)29-27-17(33)13-31-9-5-3-6-10-31)37-23(25-15)24-26-16(2)20(38-24)22(36)30-28-18(34)14-32-11-7-4-8-12-32/h3-12H,13-14H2,1-2H3,(H2-2,25,26,27,28,29,30,33,34,35,36)/p+2
InChIKey
WUBMNNMZNAUGGW-UHFFFAOYSA-P
Compound name
4-methyl-2-[4-methyl-5-[[(2-pyridin-1-ium-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]-N'-(2-pyridin-1-ium-1-ylacetyl)-1,3-thiazole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.13617 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.14345 217.4
[M+Na]+ 575.12539 220.6
[M-H]- 551.12889 226.9
[M+NH4]+ 570.16999 218.8
[M+K]+ 591.09933 204.0
[M+H-H2O]+ 535.13343 212.6
[M+HCOO]- 597.13437 229.2
[M+CH3COO]- 611.15002 235.3
[M+Na-2H]- 573.11084 223.0
[M]+ 552.13562 218.0
[M]- 552.13672 218.0
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.