CID 394032

Nsc697150

Structural Information

Molecular Formula
C30H26N4O8S2
SMILES
COC1=CC=C(C=C1)N2CC(=O)N(C2=S)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CN(C4=S)C5=CC=C(C=C5)OC
InChI
InChI=1S/C30H26N4O8S2/c1-39-21-7-3-19(4-8-21)31-15-25(35)33(29(31)43)27(37)17-41-23-11-13-24(14-12-23)42-18-28(38)34-26(36)16-32(30(34)44)20-5-9-22(40-2)10-6-20/h3-14H,15-18H2,1-2H3
InChIKey
GARCKZWVQHRBOD-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

634.1192 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.12648 244.8
[M+Na]+ 657.10842 250.2
[M-H]- 633.11192 255.9
[M+NH4]+ 652.15302 244.4
[M+K]+ 673.08236 245.0
[M+H-H2O]+ 617.11646 236.4
[M+HCOO]- 679.11740 249.5
[M+CH3COO]- 693.13305 259.6
[M+Na-2H]- 655.09387 234.6
[M]+ 634.11865 252.2
[M]- 634.11975 252.2
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.