CID 52175

Brn 0860743

Structural Information

Molecular Formula
C28H36N2O2S
SMILES
CCCCCCCCCCCCC1C(=O)N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C28H36N2O2S/c1-2-3-4-5-6-7-8-9-10-17-22-25-26(31)29(23-18-13-11-14-19-23)28(33)30(27(25)32)24-20-15-12-16-21-24/h11-16,18-21,25H,2-10,17,22H2,1H3
InChIKey
QTJHXTFHQHAQKQ-UHFFFAOYSA-N
Compound name
5-dodecyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.24976 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.25704 218.4
[M+Na]+ 487.23898 231.6
[M+NH4]+ 482.28358 224.4
[M+K]+ 503.21292 219.1
[M-H]- 463.24248 223.3
[M+Na-2H]- 485.22443 224.2
[M]+ 464.24921 222.2
[M]- 464.25031 222.2
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.