CID 376642

Nsc657673

Structural Information

Molecular Formula
C23H25N5O6S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=C(N=C2C)C)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C23H25N5O6S2/c1-14-5-9-18(10-6-14)35(31,32)27-25-22(29)20-13-21(17(4)24-16(20)3)23(30)26-28-36(33,34)19-11-7-15(2)8-12-19/h5-13,27-28H,1-4H3,(H,25,29)(H,26,30)
InChIKey
BBJHLCNZJSCVJN-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-N',5-N'-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.12463 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.13191 221.1
[M+Na]+ 554.11385 224.7
[M-H]- 530.11735 228.1
[M+NH4]+ 549.15845 223.6
[M+K]+ 570.08779 218.8
[M+H-H2O]+ 514.12189 210.7
[M+HCOO]- 576.12283 232.1
[M+CH3COO]- 590.13848 251.6
[M+Na-2H]- 552.09930 225.9
[M]+ 531.12408 224.2
[M]- 531.12518 224.2
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.