CID 677488

Mls001164366

Structural Information

Molecular Formula
C14H10N2OS
SMILES
C1=CC=C2C=C(C=CC2=C1)/C=C/3\C(=O)NC(=S)N3
InChI
InChI=1S/C14H10N2OS/c17-13-12(15-14(18)16-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H2,15,16,17,18)/b12-8+
InChIKey
TZDXWCXPMMMYIQ-XYOKQWHBSA-N
Compound name
(5E)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

254.05139 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05867 156.6
[M+Na]+ 277.04061 166.1
[M-H]- 253.04411 159.2
[M+NH4]+ 272.08521 173.2
[M+K]+ 293.01455 158.1
[M+H-H2O]+ 237.04865 150.0
[M+HCOO]- 299.04959 169.1
[M+CH3COO]- 313.06524 167.5
[M+Na-2H]- 275.02606 157.2
[M]+ 254.05084 152.9
[M]- 254.05194 152.9
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

No patent data available for this compound.