CID 3071943

Brn 5364754

Structural Information

Molecular Formula
C26H20N4O2S2
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=O)N(C3=S)C4=CC=CC=C4)CNC5=CC=CC=C5
InChI
InChI=1S/C26H20N4O2S2/c31-23-21(16-27-19-12-6-2-7-13-19)24(32)30(26(33)29(23)20-14-8-3-9-15-20)25-28-22(17-34-25)18-10-4-1-5-11-18/h1-15,17,21,27H,16H2
InChIKey
POMVFICKQFOVFT-UHFFFAOYSA-N
Compound name
5-(anilinomethyl)-1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.10278 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.11006 213.4
[M+Na]+ 507.09200 221.8
[M-H]- 483.09550 224.8
[M+NH4]+ 502.13660 218.7
[M+K]+ 523.06594 211.4
[M+H-H2O]+ 467.10004 202.9
[M+HCOO]- 529.10098 222.6
[M+CH3COO]- 543.11663 220.6
[M+Na-2H]- 505.07745 210.2
[M]+ 484.10223 212.7
[M]- 484.10333 212.7
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.