CID 171051

Prosulfalin

Structural Information

Molecular Formula
C14H22N4O6S2
SMILES
CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N=S(C)C)[N+](=O)[O-]
InChI
InChI=1S/C14H22N4O6S2/c1-5-7-16(8-6-2)14-12(17(19)20)9-11(10-13(14)18(21)22)26(23,24)15-25(3)4/h9-10H,5-8H2,1-4H3
InChIKey
LKVOXDJKFRBRQV-UHFFFAOYSA-N
Compound name
N-(dimethyl-lambda4-sulfanylidene)-4-(dipropylamino)-3,5-dinitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5842
Patents

406.09808 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10536 195.3
[M+Na]+ 429.08730 200.8
[M+NH4]+ 424.13190 203.7
[M+K]+ 445.06124 209.3
[M-H]- 405.09080 191.9
[M+Na-2H]- 427.07275 191.6
[M]+ 406.09753 197.4
[M]- 406.09863 197.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe