CID 6510010

77248-52-3

Structural Information

Molecular Formula
C14H30N4O5S3
SMILES
CCCCN(CCCC)S(=O)(=O)N(C)S(=O)N(C)C(=O)O/N=C(/C)\SC
InChI
InChI=1S/C14H30N4O5S3/c1-7-9-11-18(12-10-8-2)26(21,22)17(5)25(20)16(4)14(19)23-15-13(3)24-6/h7-12H2,1-6H3/b15-13-
InChIKey
IBNQOICPAIJMOK-SQFISAMPSA-N
Compound name
methyl (1Z)-N-[[dibutylsulfamoyl(methyl)sulfinamoyl]-methylcarbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.13785 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14513 200.5
[M+Na]+ 453.12707 199.7
[M-H]- 429.13057 202.1
[M+NH4]+ 448.17167 210.3
[M+K]+ 469.10101 197.7
[M+H-H2O]+ 413.13511 190.3
[M+HCOO]- 475.13605 206.6
[M+CH3COO]- 489.15170 240.6
[M+Na-2H]- 451.11252 198.6
[M]+ 430.13730 208.4
[M]- 430.13840 208.4
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.