CID 190841

M-ciaamp

Structural Information

Molecular Formula
C16H15INO6P
SMILES
C1=CC(=CC(=C1)OP(=O)(CNC(=O)CC2=CC=C(C=C2)I)O)C(=O)O
InChI
InChI=1S/C16H15INO6P/c17-13-6-4-11(5-7-13)8-15(19)18-10-25(22,23)24-14-3-1-2-12(9-14)16(20)21/h1-7,9H,8,10H2,(H,18,19)(H,20,21)(H,22,23)
InChIKey
XKIXOGFDDUEBHT-UHFFFAOYSA-N
Compound name
3-[hydroxy-[[[2-(4-iodophenyl)acetyl]amino]methyl]phosphoryl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.96817 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.97545 202.0
[M+Na]+ 497.95739 199.1
[M-H]- 473.96089 197.4
[M+NH4]+ 493.00199 207.5
[M+K]+ 513.93133 202.6
[M+H-H2O]+ 457.96543 187.8
[M+HCOO]- 519.96637 220.6
[M+CH3COO]- 533.98202 218.8
[M+Na-2H]- 495.94284 189.1
[M]+ 474.96762 200.4
[M]- 474.96872 200.4
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

No patent data available for this compound.