CID 198477

4-iodo-n-(2-(4-morpholinyl)ethyl)benzamide

Structural Information

Molecular Formula
C13H17IN2O2
SMILES
C1COCCN1CCNC(=O)C2=CC=C(C=C2)I
InChI
InChI=1S/C13H17IN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKey
SRCOTPAWAAQWLW-UHFFFAOYSA-N
Compound name
4-iodo-N-(2-morpholin-4-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

52
Patents

360.03348 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.04076 169.7
[M+Na]+ 383.02270 166.4
[M-H]- 359.02620 167.0
[M+NH4]+ 378.06730 178.3
[M+K]+ 398.99664 170.6
[M+H-H2O]+ 343.03074 157.2
[M+HCOO]- 405.03168 183.1
[M+CH3COO]- 419.04733 202.7
[M+Na-2H]- 381.00815 161.8
[M]+ 360.03293 163.8
[M]- 360.03403 163.8
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

patents stripe