CID 4427349

329777-92-6

Structural Information

Molecular Formula
C23H23NO7S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=CC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H23NO7S/c1-27-18-9-11-20(12-10-18)32(25,26)31-19-7-5-17(6-8-19)24-15-16-13-21(28-2)23(30-4)22(14-16)29-3/h5-15H,1-4H3
InChIKey
PCWYKZZJCUHYDI-UHFFFAOYSA-N
Compound name
[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl] 4-methoxybenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

457.11954 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.12682 207.4
[M+Na]+ 480.10876 214.8
[M-H]- 456.11226 218.7
[M+NH4]+ 475.15336 216.4
[M+K]+ 496.08270 212.1
[M+H-H2O]+ 440.11680 196.5
[M+HCOO]- 502.11774 227.4
[M+CH3COO]- 516.13339 234.0
[M+Na-2H]- 478.09421 209.9
[M]+ 457.11899 218.9
[M]- 457.12009 218.9
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

patents stripe