CID 3076221

130482-64-3

Structural Information

Molecular Formula
C15H21N3O3
SMILES
C1COCCN1CCN=C(C2COC3=CC=CC=C3O2)N
InChI
InChI=1S/C15H21N3O3/c16-15(17-5-6-18-7-9-19-10-8-18)14-11-20-12-3-1-2-4-13(12)21-14/h1-4,14H,5-11H2,(H2,16,17)
InChIKey
WMXOAVCYZXOURP-UHFFFAOYSA-N
Compound name
N'-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1583 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16558 169.9
[M+Na]+ 314.14752 172.3
[M-H]- 290.15102 176.9
[M+NH4]+ 309.19212 179.8
[M+K]+ 330.12146 173.0
[M+H-H2O]+ 274.15556 160.0
[M+HCOO]- 336.15650 184.9
[M+CH3COO]- 350.17215 179.1
[M+Na-2H]- 312.13297 175.7
[M]+ 291.15775 166.0
[M]- 291.15885 166.0
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.