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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14482 167.7
[M+Na]+ 316.12676 170.3
[M-H]- 292.13026 172.5
[M+NH4]+ 311.17136 178.9
[M+K]+ 332.10070 169.9
[M+H-H2O]+ 276.13480 158.2
[M+HCOO]- 338.13574 186.8
[M+CH3COO]- 352.15139 203.7
[M+Na-2H]- 314.11221 171.5
[M]+ 293.13699 165.4
[M]- 293.13809 165.4
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