CID 3051924

68061-41-6

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₅

SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)NN2CCOCC2

InChI

InChI=1S/C14H21N3O5/c1-19-11-8-10(9-12(20-2)13(11)21-3)15-14(18)16-17-4-6-22-7-5-17/h8-9H,4-7H2,1-3H3,(H2,15,16,18)

InChIKey

XRMPYWQOXZKZQI-UHFFFAOYSA-N

Compound name

1-morpholin-4-yl-3-(3,4,5-trimethoxyphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 311.14813 Da
Monoisotopic Mass: 0.7
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]+	312.155406	171.3
[M+Na]+	334.137348	175.5
[M-H]-	310.140854	176.7
[M+NH4]+	329.181953	182.4
[M+K]+	350.111288	175.9
[M+H-H2O]+	294.145390	161.8
[M+HCOO]-	356.146331	191.3
[M+CH3COO]-	370.161981	209.0
[M+Na-2H]-	332.122796	174.9
[M]+	311.14758142	172.6
[M]-	311.14867858	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe