CID 3071949

Brn 5366545

Structural Information

Molecular Formula
C27H22N4O2S2
SMILES
CC1=CC=CC=C1N2C(=O)C(C(=O)N(C2=S)C3=NC(=CS3)C4=CC=CC=C4)CNC5=CC=CC=C5
InChI
InChI=1S/C27H22N4O2S2/c1-18-10-8-9-15-23(18)30-24(32)21(16-28-20-13-6-3-7-14-20)25(33)31(27(30)34)26-29-22(17-35-26)19-11-4-2-5-12-19/h2-15,17,21,28H,16H2,1H3
InChIKey
GQBIXLLJSILVGB-UHFFFAOYSA-N
Compound name
5-(anilinomethyl)-1-(2-methylphenyl)-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

498.1184 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.12568 213.8
[M+Na]+ 521.10762 229.6
[M+NH4]+ 516.15222 220.8
[M+K]+ 537.08156 218.3
[M-H]- 497.11112 223.1
[M+Na-2H]- 519.09307 224.5
[M]+ 498.11785 219.7
[M]- 498.11895 219.7
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.