CID 3054155

Ita 418

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₄

SMILES

COC1=CC=CC=C1C(=O)NC(=O)NCN2CCOCC2

InChI

InChI=1S/C14H19N3O4/c1-20-12-5-3-2-4-11(12)13(18)16-14(19)15-10-17-6-8-21-9-7-17/h2-5H,6-10H2,1H3,(H2,15,16,18,19)

InChIKey

OOGBRTAWDMGXCY-UHFFFAOYSA-N

Compound name

2-methoxy-N-(morpholin-4-ylmethylcarbamoyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 293.13754 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.144816	167.7
[M+Na]+	316.126758	170.3
[M-H]-	292.130264	172.5
[M+NH4]+	311.171363	178.9
[M+K]+	332.100698	169.9
[M+H-H2O]+	276.134800	158.2
[M+HCOO]-	338.135741	186.8
[M+CH3COO]-	352.151391	203.7
[M+Na-2H]-	314.112206	171.5
[M]+	293.13699142	165.4
[M]-	293.13808858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe