CID 3038308

Brn 0738685

Structural Information

Molecular Formula
C38H38N6O2S2
SMILES
CC1CN(C(CN1CN2C(=O)C(NC2=S)(C3=CC=CC=C3)C4=CC=CC=C4)C)CN5C(=O)C(NC5=S)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C38H38N6O2S2/c1-27-23-42(26-44-34(46)38(40-36(44)48,31-19-11-5-12-20-31)32-21-13-6-14-22-32)28(2)24-41(27)25-43-33(45)37(39-35(43)47,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h3-22,27-28H,23-26H2,1-2H3,(H,39,47)(H,40,48)
InChIKey
GRBFQRNNEYGPKV-UHFFFAOYSA-N
Compound name
3-[[2,5-dimethyl-4-[(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)methyl]piperazin-1-yl]methyl]-5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.24976 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.25704 245.1
[M+Na]+ 697.23898 259.2
[M+NH4]+ 692.28358 251.7
[M+K]+ 713.21292 247.4
[M-H]- 673.24248 253.8
[M+Na-2H]- 695.22443 257.0
[M]+ 674.24921 250.7
[M]- 674.25031 250.7
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.