CID 5935393

Nsc659512

Structural Information

Molecular Formula
C18H14N4O4S
SMILES
C/C(=C/C1=CC=CC=C1)/C=C/2\C(=O)NC(=S)N2C=C3C(=O)NC(=O)NC3=O
InChI
InChI=1S/C18H14N4O4S/c1-10(7-11-5-3-2-4-6-11)8-13-16(25)21-18(27)22(13)9-12-14(23)19-17(26)20-15(12)24/h2-9H,1H3,(H,21,25,27)(H2,19,20,23,24,26)/b10-7-,13-8+
InChIKey
IETVIDHQTGNLKO-DOLWDEDMSA-N
Compound name
5-[[(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.07358 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08086 192.8
[M+Na]+ 405.06280 199.7
[M-H]- 381.06630 193.3
[M+NH4]+ 400.10740 199.1
[M+K]+ 421.03674 189.8
[M+H-H2O]+ 365.07084 184.7
[M+HCOO]- 427.07178 197.4
[M+CH3COO]- 441.08743 208.7
[M+Na-2H]- 403.04825 184.7
[M]+ 382.07303 185.2
[M]- 382.07413 185.2
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.