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]+ 321.137976 172.6
[M+Na]+ 343.119918 178.2
[M-H]- 319.123424 174.7
[M+NH4]+ 338.164523 187.9
[M+K]+ 359.093858 173.0
[M+H-H2O]+ 303.127960 165.1
[M+HCOO]- 365.128901 190.0
[M+CH3COO]- 379.144551 213.4
[M+Na-2H]- 341.105366 172.7
[M]+ 320.13015142 173.6
[M]- 320.13124858 173.6
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.