CID 5384747

Nsc358874

Structural Information

Molecular Formula
C13H17NOS2
SMILES
CC1(C2CCC(C2)C1/C=C/3\C(=O)NC(=S)S3)C
InChI
InChI=1S/C13H17NOS2/c1-13(2)8-4-3-7(5-8)9(13)6-10-11(15)14-12(16)17-10/h6-9H,3-5H2,1-2H3,(H,14,15,16)/b10-6+
InChIKey
NHJQVIADTFRHAI-UXBLZVDNSA-N
Compound name
(5E)-5-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.07516 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08244 163.4
[M+Na]+ 290.06438 173.2
[M-H]- 266.06788 167.3
[M+NH4]+ 285.10898 188.4
[M+K]+ 306.03832 168.2
[M+H-H2O]+ 250.07242 161.9
[M+HCOO]- 312.07336 171.0
[M+CH3COO]- 326.08901 174.9
[M+Na-2H]- 288.04983 158.2
[M]+ 267.07461 163.3
[M]- 267.07571 163.3
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.