CID 383272

Nsc671386

Structural Information

Molecular Formula
C22H16N4O3S
SMILES
COC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=C(C=C3)N=NC4=CC=CC=C4
InChI
InChI=1S/C22H16N4O3S/c1-29-19-13-11-18(12-14-19)26-21(28)20(27)25(22(26)30)17-9-7-16(8-10-17)24-23-15-5-3-2-4-6-15/h2-14H,1H3
InChIKey
NCYCSJLAPNJSHF-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(4-phenyldiazenylphenyl)-2-sulfanylideneimidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0943 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10158 199.8
[M+Na]+ 439.08352 209.1
[M-H]- 415.08702 213.5
[M+NH4]+ 434.12812 210.2
[M+K]+ 455.05746 202.6
[M+H-H2O]+ 399.09156 188.6
[M+HCOO]- 461.09250 220.7
[M+CH3COO]- 475.10815 210.3
[M+Na-2H]- 437.06897 199.3
[M]+ 416.09375 203.6
[M]- 416.09485 203.6
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.