CID 214797

Ro 31

Structural Information

Molecular Formula
C14H20N2O4
SMILES
C1COCCN1CC(COC2=CC=CC=C2C(=O)N)O
InChI
InChI=1S/C14H20N2O4/c15-14(18)12-3-1-2-4-13(12)20-10-11(17)9-16-5-7-19-8-6-16/h1-4,11,17H,5-10H2,(H2,15,18)
InChIKey
XRJFFDOTSNCSBF-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3-morpholin-4-ylpropoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

280.1423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 165.2
[M+Na]+ 303.13152 167.8
[M-H]- 279.13502 168.1
[M+NH4]+ 298.17612 176.2
[M+K]+ 319.10546 166.7
[M+H-H2O]+ 263.13956 156.4
[M+HCOO]- 325.14050 180.9
[M+CH3COO]- 339.15615 198.2
[M+Na-2H]- 301.11697 167.0
[M]+ 280.14175 161.7
[M]- 280.14285 161.7
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