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

6779
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 188.8
[M+Na]+ 429.08730 190.2
[M-H]- 405.09080 220.1
[M+NH4]+ 424.13190 227.3
[M+K]+ 445.06124 178.5
[M+H-H2O]+ 389.09534 188.0
[M+HCOO]- 451.09628 232.5
[M+CH3COO]- 465.11193 217.1
[M+Na-2H]- 427.07275 193.6
[M]+ 406.09753 212.9
[M]- 406.09863 212.9
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.