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]+ 290.18630 169.2
[M+Na]+ 312.16824 171.0
[M-H]- 288.17174 175.3
[M+NH4]+ 307.21284 180.5
[M+K]+ 328.14218 170.1
[M+H-H2O]+ 272.17628 159.3
[M+HCOO]- 334.17722 184.7
[M+CH3COO]- 348.19287 178.1
[M+Na-2H]- 310.15369 174.0
[M]+ 289.17847 163.5
[M]- 289.17957 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.