CID 456831

4,4'-biphso2n2

Structural Information

Molecular Formula
C18H22N4O4S2
SMILES
CC(=NNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NN=C(C)C)C
InChI
InChI=1S/C18H22N4O4S2/c1-13(2)19-21-27(23,24)17-9-5-15(6-10-17)16-7-11-18(12-8-16)28(25,26)22-20-14(3)4/h5-12,21-22H,1-4H3
InChIKey
VTBINLMJCMQJIW-UHFFFAOYSA-N
Compound name
N-(propan-2-ylideneamino)-4-[4-[(propan-2-ylideneamino)sulfamoyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.10825 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11553 197.6
[M+Na]+ 445.09747 201.8
[M-H]- 421.10097 205.2
[M+NH4]+ 440.14207 207.3
[M+K]+ 461.07141 196.6
[M+H-H2O]+ 405.10551 187.9
[M+HCOO]- 467.10645 212.6
[M+CH3COO]- 481.12210 233.8
[M+Na-2H]- 443.08292 202.1
[M]+ 422.10770 200.8
[M]- 422.10880 200.8
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.