CID 45010

63886-97-5

Structural Information

Molecular Formula
C14H21NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N(CCO)CCO
InChI
InChI=1S/C14H21NO6/c1-19-11-8-10(9-12(20-2)13(11)21-3)14(18)15(4-6-16)5-7-17/h8-9,16-17H,4-7H2,1-3H3
InChIKey
ZJOVXIBMMPYJIH-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

299.1369 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14418 166.9
[M+Na]+ 322.12612 172.7
[M-H]- 298.12962 169.2
[M+NH4]+ 317.17072 181.3
[M+K]+ 338.10006 172.8
[M+H-H2O]+ 282.13416 159.7
[M+HCOO]- 344.13510 188.7
[M+CH3COO]- 358.15075 205.2
[M+Na-2H]- 320.11157 167.9
[M]+ 299.13635 173.7
[M]- 299.13745 173.7
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