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]+ 292.165576 169.9
[M+Na]+ 314.147518 172.3
[M-H]- 290.151024 176.9
[M+NH4]+ 309.192123 179.8
[M+K]+ 330.121458 173.0
[M+H-H2O]+ 274.155560 160.0
[M+HCOO]- 336.156501 184.9
[M+CH3COO]- 350.172151 179.1
[M+Na-2H]- 312.132966 175.7
[M]+ 291.15775142 166.0
[M]- 291.15884858 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.