CID 203300

Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide

Structural Information

Molecular Formula
C13H15N3O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC(=N)N
InChI
InChI=1S/C13H15N3O2S/c14-13(15)19-8-4-3-7-16-11(17)9-5-1-2-6-10(9)12(16)18/h1-2,5-6H,3-4,7-8H2,(H3,14,15)
InChIKey
LDFVOQXFLOAVQQ-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)butyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

277.0885 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09578 163.4
[M+Na]+ 300.07772 171.7
[M+NH4]+ 295.12232 170.0
[M+K]+ 316.05166 166.1
[M-H]- 276.08122 164.4
[M+Na-2H]- 298.06317 165.3
[M]+ 277.08795 164.8
[M]- 277.08905 164.8
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

patents stripe