CID 43608688

[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine

Structural Information

Molecular Formula
C16H25N3O
SMILES
C1COCCC1(CN)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C16H25N3O/c17-14-16(6-12-20-13-7-16)19-10-8-18(9-11-19)15-4-2-1-3-5-15/h1-5H,6-14,17H2
InChIKey
IKIDDZLFPJQJDF-UHFFFAOYSA-N
Compound name
[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

275.19977 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.20705 168.1
[M+Na]+ 298.18899 170.2
[M-H]- 274.19249 173.1
[M+NH4]+ 293.23359 180.4
[M+K]+ 314.16293 167.4
[M+H-H2O]+ 258.19703 157.3
[M+HCOO]- 320.19797 181.5
[M+CH3COO]- 334.21362 176.4
[M+Na-2H]- 296.17444 171.7
[M]+ 275.19922 158.6
[M]- 275.20032 158.6
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

patents stripe