CID 5933803

Nsc255263

Structural Information

Molecular Formula
C30H28N2O6S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O/N=C(\C2=CC=CC=C2)/CC/C(=N/OS(=O)(=O)C3=CC=C(C=C3)C)/C4=CC=CC=C4
InChI
InChI=1S/C30H28N2O6S2/c1-23-13-17-27(18-14-23)39(33,34)37-31-29(25-9-5-3-6-10-25)21-22-30(26-11-7-4-8-12-26)32-38-40(35,36)28-19-15-24(2)16-20-28/h3-20H,21-22H2,1-2H3/b31-29-,32-30-
InChIKey
VEHWMMIHFAWMNH-SZDCHMHBSA-N
Compound name
[(Z)-[(4Z)-4-(4-methylphenyl)sulfonyloxyimino-1,4-diphenylbutylidene]amino] 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.13885 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.14613 238.5
[M+Na]+ 599.12807 241.4
[M-H]- 575.13157 251.1
[M+NH4]+ 594.17267 241.4
[M+K]+ 615.10201 235.8
[M+H-H2O]+ 559.13611 226.3
[M+HCOO]- 621.13705 251.3
[M+CH3COO]- 635.15270 254.1
[M+Na-2H]- 597.11352 242.5
[M]+ 576.13830 244.4
[M]- 576.13940 244.4
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.