CID 462925

2,2'-dithiobis(5-aminobenzamide)

Structural Information

Molecular Formula
C14H14N4O2S2
SMILES
C1=CC(=C(C=C1N)C(=O)N)SSC2=C(C=C(C=C2)N)C(=O)N
InChI
InChI=1S/C14H14N4O2S2/c15-7-1-3-11(9(5-7)13(17)19)21-22-12-4-2-8(16)6-10(12)14(18)20/h1-6H,15-16H2,(H2,17,19)(H2,18,20)
InChIKey
ACWGEQMXDGPWCX-UHFFFAOYSA-N
Compound name
5-amino-2-[(4-amino-2-carbamoylphenyl)disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

334.05582 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06310 171.3
[M+Na]+ 357.04504 177.2
[M-H]- 333.04854 175.2
[M+NH4]+ 352.08964 182.9
[M+K]+ 373.01898 169.7
[M+H-H2O]+ 317.05308 162.9
[M+HCOO]- 379.05402 184.0
[M+CH3COO]- 393.06967 217.6
[M+Na-2H]- 355.03049 169.2
[M]+ 334.05527 168.1
[M]- 334.05637 168.1
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