CID 116138

63992-47-2

Structural Information

Molecular Formula
C15H14INO3
SMILES
C1=CC=C(C=C1)C2=C(C(=CC(=C2)I)C(=O)NCCO)O
InChI
InChI=1S/C15H14INO3/c16-11-8-12(10-4-2-1-3-5-10)14(19)13(9-11)15(20)17-6-7-18/h1-5,8-9,18-19H,6-7H2,(H,17,20)
InChIKey
RJODSWMFHIEXQP-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-hydroxyethyl)-5-iodo-3-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.00183 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.00911 177.8
[M+Na]+ 405.99105 177.2
[M-H]- 381.99455 174.7
[M+NH4]+ 401.03565 187.3
[M+K]+ 421.96499 178.7
[M+H-H2O]+ 365.99909 166.5
[M+HCOO]- 428.00003 193.9
[M+CH3COO]- 442.01568 204.6
[M+Na-2H]- 403.97650 168.3
[M]+ 383.00128 174.0
[M]- 383.00238 174.0
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.