CID 5398195

Mls000683256

Structural Information

Molecular Formula
C17H21N3O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)/N=C/C3=CC=C(O3)C
InChI
InChI=1S/C17H21N3O/c1-14-3-6-16(7-4-14)19-9-11-20(12-10-19)18-13-17-8-5-15(2)21-17/h3-8,13H,9-12H2,1-2H3/b18-13+
InChIKey
SRPFVHCAFYFSOT-QGOAFFKASA-N
Compound name
(E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

283.16846 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 168.4
[M+Na]+ 306.15768 174.7
[M-H]- 282.16118 176.9
[M+NH4]+ 301.20228 182.1
[M+K]+ 322.13162 171.4
[M+H-H2O]+ 266.16572 158.2
[M+HCOO]- 328.16666 188.9
[M+CH3COO]- 342.18231 179.6
[M+Na-2H]- 304.14313 170.7
[M]+ 283.16791 166.9
[M]- 283.16901 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.