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

8
Patents

275.19977 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.207046 168.1
[M+Na]+ 298.188988 170.2
[M-H]- 274.192494 173.1
[M+NH4]+ 293.233593 180.4
[M+K]+ 314.162928 167.4
[M+H-H2O]+ 258.197030 157.3
[M+HCOO]- 320.197971 181.5
[M+CH3COO]- 334.213621 176.4
[M+Na-2H]- 296.174436 171.7
[M]+ 275.19922142 158.6
[M]- 275.20031858 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