CID 3065992

2,4'-dibiguanido-4,5-dimethoxydiphenyl sulfone

Structural Information

Molecular Formula
C18H24N10O4S
SMILES
COC1=C(C=C(C(=C1)N=CNN=C(N)N)S(=O)(=O)C2=CC=C(C=C2)N(C(=N)N)C(=N)N)OC
InChI
InChI=1S/C18H24N10O4S/c1-31-13-7-12(25-9-26-27-16(19)20)15(8-14(13)32-2)33(29,30)11-5-3-10(4-6-11)28(17(21)22)18(23)24/h3-9H,1-2H3,(H3,21,22)(H3,23,24)(H,25,26)(H4,19,20,27)
InChIKey
ZKFVGIIUXDGNAB-UHFFFAOYSA-N
Compound name
N-(diaminomethylideneamino)-N'-[2-[4-(dicarbamimidoylamino)phenyl]sulfonyl-4,5-dimethoxyphenyl]methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.17026 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.17754 203.5
[M+Na]+ 499.15948 203.3
[M+NH4]+ 494.20408 203.9
[M+K]+ 515.13342 202.3
[M-H]- 475.16298 207.4
[M+Na-2H]- 497.14493 206.5
[M]+ 476.16971 203.6
[M]- 476.17081 203.6
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.