CID 16683108

Urea stibamine

Structural Information

Molecular Formula
C7H10N3O4Sb
SMILES
C1=CC(=CC=C1N)[Sb](=O)(O)ONC(=O)N
InChI
InChI=1S/C6H6N.CH3N2O2.H2O.O.Sb/c7-6-4-2-1-3-5-6;2-1(4)3-5;;;/h2-5H,7H2;(H3-,2,3,4,5);1H2;;/q;-1;;;+2/p-1
InChIKey
STIGEALBGPUGBV-UHFFFAOYSA-M
Compound name
(4-aminophenyl)-(carbamoylamino)oxystibinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

156
Patents

320.97095 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.97823 161.7
[M+Na]+ 343.96017 166.9
[M-H]- 319.96367 162.6
[M+NH4]+ 339.00477 176.8
[M+K]+ 359.93411 165.1
[M+H-H2O]+ 303.96821 154.2
[M+HCOO]- 365.96915 184.3
[M+CH3COO]- 379.98480 192.7
[M+Na-2H]- 341.94562 165.6
[M]+ 320.97040 158.5
[M]- 320.97150 158.5
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