CID 5398195

307348-60-3

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]+ 284.175736 168.4
[M+Na]+ 306.157678 174.7
[M-H]- 282.161184 176.9
[M+NH4]+ 301.202283 182.1
[M+K]+ 322.131618 171.4
[M+H-H2O]+ 266.165720 158.2
[M+HCOO]- 328.166661 188.9
[M+CH3COO]- 342.182311 179.6
[M+Na-2H]- 304.143126 170.7
[M]+ 283.16791142 166.9
[M]- 283.16900858 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.