CID 86228

3-iodo-n-((1-ethyl-2-pyrrolidinyl)methyl)-5,6-dimethoxysalicylamide

Structural Information

Molecular Formula
C16H23IN2O4
SMILES
CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2O)I)OC)OC
InChI
InChI=1S/C16H23IN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)
InChIKey
BKJGKGPGPACEQW-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-iodo-5,6-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

42
Patents

434.07025 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.07753 188.4
[M+Na]+ 457.05947 187.3
[M-H]- 433.06297 185.4
[M+NH4]+ 452.10407 197.6
[M+K]+ 473.03341 190.5
[M+H-H2O]+ 417.06751 177.0
[M+HCOO]- 479.06845 202.7
[M+CH3COO]- 493.08410 217.1
[M+Na-2H]- 455.04492 174.2
[M]+ 434.06970 187.5
[M]- 434.07080 187.5
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.