CID 783020

N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(=O)NC1=CC=C(C=C1)CN2CCOCC2
InChI
InChI=1S/C13H18N2O2/c1-11(16)14-13-4-2-12(3-5-13)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)
InChIKey
KFRGDVNNAPFDCF-UHFFFAOYSA-N
Compound name
N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

234.13683 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.6
[M+Na]+ 257.126048 158.7
[M-H]- 233.129554 159.5
[M+NH4]+ 252.170653 168.8
[M+K]+ 273.099988 157.3
[M+H-H2O]+ 217.134090 146.0
[M+HCOO]- 279.135031 173.4
[M+CH3COO]- 293.150681 192.2
[M+Na-2H]- 255.111496 159.4
[M]+ 234.13628142 151.2
[M]- 234.13737858 151.2
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