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

6
Patents

280.1423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.149576 165.2
[M+Na]+ 303.131518 167.8
[M-H]- 279.135024 168.1
[M+NH4]+ 298.176123 176.2
[M+K]+ 319.105458 166.7
[M+H-H2O]+ 263.139560 156.4
[M+HCOO]- 325.140501 180.9
[M+CH3COO]- 339.156151 198.2
[M+Na-2H]- 301.116966 167.0
[M]+ 280.14175142 161.7
[M]- 280.14284858 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