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

1
Patents

311.14813 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15541 171.3
[M+Na]+ 334.13735 175.5
[M-H]- 310.14085 176.7
[M+NH4]+ 329.18195 182.4
[M+K]+ 350.11129 175.9
[M+H-H2O]+ 294.14539 161.8
[M+HCOO]- 356.14633 191.3
[M+CH3COO]- 370.16198 209.0
[M+Na-2H]- 332.12280 174.9
[M]+ 311.14758 172.6
[M]- 311.14868 172.6
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

patents stripe