CID 53204

75231-03-7

Structural Information

Molecular Formula
C16H23N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCCN(C2)C(=N)N
InChI
InChI=1S/C16H23N3O5/c1-21-12-7-10(8-13(22-2)14(12)23-3)15(20)24-11-5-4-6-19(9-11)16(17)18/h7-8,11H,4-6,9H2,1-3H3,(H3,17,18)
InChIKey
GYOIHVJYKAKBKE-UHFFFAOYSA-N
Compound name
(1-carbamimidoylpiperidin-3-yl) 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.16376 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.171036 178.0
[M+Na]+ 360.152978 182.1
[M-H]- 336.156484 182.4
[M+NH4]+ 355.197583 189.2
[M+K]+ 376.126918 181.0
[M+H-H2O]+ 320.161020 168.9
[M+HCOO]- 382.161961 196.8
[M+CH3COO]- 396.177611 215.9
[M+Na-2H]- 358.138426 177.1
[M]+ 337.16321142 177.5
[M]- 337.16430858 177.5
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

No patent data available for this compound.