CID 3076223

130482-66-5

Structural Information

Molecular Formula
C16H23N3O2
SMILES
C1CCN(CC1)CCN=C(C2COC3=CC=CC=C3O2)N
InChI
InChI=1S/C16H23N3O2/c17-16(18-8-11-19-9-4-1-5-10-19)15-12-20-13-6-2-3-7-14(13)21-15/h2-3,6-7,15H,1,4-5,8-12H2,(H2,17,18)
InChIKey
NYIMCHWEDLCIBP-UHFFFAOYSA-N
Compound name
N'-(2-piperidin-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.17902 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.186296 169.2
[M+Na]+ 312.168238 171.0
[M-H]- 288.171744 175.3
[M+NH4]+ 307.212843 180.5
[M+K]+ 328.142178 170.1
[M+H-H2O]+ 272.176280 159.3
[M+HCOO]- 334.177221 184.7
[M+CH3COO]- 348.192871 178.1
[M+Na-2H]- 310.153686 174.0
[M]+ 289.17847142 163.5
[M]- 289.17956858 163.5
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.