CID 739326

Nsc684373

Structural Information

Molecular Formula
C12H13N3OS
SMILES
CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C12H13N3OS/c1-15(2)9-5-3-8(4-6-9)7-10-11(16)14-12(17)13-10/h3-7H,1-2H3,(H2,13,14,16,17)/b10-7+
InChIKey
JDEZMVXJIDKERE-JXMROGBWSA-N
Compound name
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07793 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08521 156.2
[M+Na]+ 270.06715 164.2
[M-H]- 246.07065 159.4
[M+NH4]+ 265.11175 172.5
[M+K]+ 286.04109 158.5
[M+H-H2O]+ 230.07519 149.1
[M+HCOO]- 292.07613 170.8
[M+CH3COO]- 306.09178 191.3
[M+Na-2H]- 268.05260 154.6
[M]+ 247.07738 153.3
[M]- 247.07848 153.3
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.