CID 2735018

63148-81-2

Structural Information

Molecular Formula
C24H27N2O4S
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC(=C(C=C3)OC)S(=O)(=O)O
InChI
InChI=1S/C24H26N2O4S/c1-25(2)20-11-6-17(7-12-20)24(18-8-13-21(14-9-18)26(3)4)19-10-15-22(30-5)23(16-19)31(27,28)29/h6-16H,1-5H3/p+1
InChIKey
ZBNXZDUJGJNFHA-UHFFFAOYSA-O
Compound name
[4-[[4-(dimethylamino)phenyl]-(4-methoxy-3-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.16916 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.17644 199.2
[M+Na]+ 462.15838 212.5
[M+NH4]+ 457.20298 206.0
[M+K]+ 478.13232 205.9
[M-H]- 438.16188 206.4
[M+Na-2H]- 460.14383 208.5
[M]+ 439.16861 203.9
[M]- 439.16971 203.9
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.