CID 2654037

143579-18-4

Structural Information

Molecular Formula
C12H15IN2O2
SMILES
C1COCCN1CC(=O)NC2=CC=CC=C2I
InChI
InChI=1S/C12H15IN2O2/c13-10-3-1-2-4-11(10)14-12(16)9-15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKey
CNSKXKDFFIYDSV-UHFFFAOYSA-N
Compound name
N-(2-iodophenyl)-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.01782 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.02510 164.9
[M+Na]+ 369.00704 162.1
[M-H]- 345.01054 162.4
[M+NH4]+ 364.05164 174.1
[M+K]+ 384.98098 166.4
[M+H-H2O]+ 329.01508 152.6
[M+HCOO]- 391.01602 178.7
[M+CH3COO]- 405.03167 199.9
[M+Na-2H]- 366.99249 157.6
[M]+ 346.01727 158.7
[M]- 346.01837 158.7
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.