CID 3033753

Brn 0932539

Structural Information

Molecular Formula
C17H23N3O3S
SMILES
CCN(CC)CCC1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H23N3O3S/c1-4-19(5-2)11-10-14-15(21)18-17(24)20(16(14)22)12-6-8-13(23-3)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,21,24)
InChIKey
LJXYGPNRIBHKMM-UHFFFAOYSA-N
Compound name
5-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14603 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15331 183.6
[M+Na]+ 372.13525 193.8
[M+NH4]+ 367.17985 188.9
[M+K]+ 388.10919 186.1
[M-H]- 348.13875 185.4
[M+Na-2H]- 370.12070 186.8
[M]+ 349.14548 185.7
[M]- 349.14658 185.7
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.