CID 52176

Brn 0899131

Structural Information

Molecular Formula
C21H22N2O2S
SMILES
CCCCCC1C(=O)N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O2S/c1-2-3-6-15-18-19(24)22(16-11-7-4-8-12-16)21(26)23(20(18)25)17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3
InChIKey
UQJGKOXATHYVEF-UHFFFAOYSA-N
Compound name
5-pentyl-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

366.1402 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14748 188.6
[M+Na]+ 389.12942 203.3
[M+NH4]+ 384.17402 195.7
[M+K]+ 405.10336 192.3
[M-H]- 365.13292 193.7
[M+Na-2H]- 387.11487 196.1
[M]+ 366.13965 192.6
[M]- 366.14075 192.6
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.