CID 208208

31786-72-8

Structural Information

Molecular Formula
C15H20N4O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCNCCCSC(=N)N
InChI
InChI=1S/C15H20N4O2S/c16-15(17)22-10-4-8-18-7-3-9-19-13(20)11-5-1-2-6-12(11)14(19)21/h1-2,5-6,18H,3-4,7-10H2,(H3,16,17)
InChIKey
VHLHPCZBMINWSP-UHFFFAOYSA-N
Compound name
3-[3-(1,3-dioxoisoindol-2-yl)propylamino]propyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1307 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13798 174.6
[M+Na]+ 343.11992 181.1
[M+NH4]+ 338.16452 180.3
[M+K]+ 359.09386 175.6
[M-H]- 319.12342 175.7
[M+Na-2H]- 341.10537 176.0
[M]+ 320.13015 175.7
[M]- 320.13125 175.7
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.