CID 59426

3-(((3-amino-4-hydroxyphenyl)phenylarsino)thio)alanine

Structural Information

Molecular Formula
C15H17AsN2O3S
SMILES
C1=CC=C(C=C1)[As](C2=CC(=C(C=C2)O)N)SCC(C(=O)O)N
InChI
InChI=1S/C15H17AsN2O3S/c17-12-8-11(6-7-14(12)19)16(10-4-2-1-3-5-10)22-9-13(18)15(20)21/h1-8,13,19H,9,17-18H2,(H,20,21)
InChIKey
DHFDPQDRNFBLLN-UHFFFAOYSA-N
Compound name
2-amino-3-[(3-amino-4-hydroxyphenyl)-phenylarsanyl]sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.01758 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.02486 183.2
[M+Na]+ 403.00680 186.5
[M-H]- 379.01030 185.2
[M+NH4]+ 398.05140 194.2
[M+K]+ 418.98074 181.3
[M+H-H2O]+ 363.01484 174.8
[M+HCOO]- 425.01578 196.3
[M+CH3COO]- 439.03143 208.6
[M+Na-2H]- 400.99225 180.0
[M]+ 380.01703 180.5
[M]- 380.01813 180.5
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.