CID 93248

Einecs 256-325-5

Structural Information

Molecular Formula
C19H24N4O4S2
SMILES
CCN1C(=O)C(C(=O)N(C1=S)CC)C=CC=C2C(=O)N(C(=S)N(C2=O)CC)CC
InChI
InChI=1S/C19H24N4O4S2/c1-5-20-14(24)12(15(25)21(6-2)18(20)28)10-9-11-13-16(26)22(7-3)19(29)23(8-4)17(13)27/h9-12H,5-8H2,1-4H3
InChIKey
VJYNRXFXHKIGLT-UHFFFAOYSA-N
Compound name
5-[3-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)prop-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

53
References

973
Patents

436.1239 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.13118 211.7
[M+Na]+ 459.11312 220.4
[M+NH4]+ 454.15772 213.5
[M+K]+ 475.08706 211.1
[M-H]- 435.11662 209.8
[M+Na-2H]- 457.09857 208.3
[M]+ 436.12335 212.7
[M]- 436.12445 212.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe