CID 6883812

315224-71-6

Structural Information

Molecular Formula
C22H23N3O
SMILES
C1CN(CCN1CC2=CC=CC3=CC=CC=C32)/N=C/C=C/C4=CC=CO4
InChI
InChI=1S/C22H23N3O/c1-2-11-22-19(6-1)7-3-8-20(22)18-24-13-15-25(16-14-24)23-12-4-9-21-10-5-17-26-21/h1-12,17H,13-16,18H2/b9-4+,23-12+
InChIKey
GCWSUXUUONKCKR-RBPBNGIGSA-N
Compound name
(E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1841 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19138 183.8
[M+Na]+ 368.17332 189.6
[M-H]- 344.17682 192.5
[M+NH4]+ 363.21792 195.3
[M+K]+ 384.14726 183.7
[M+H-H2O]+ 328.18136 172.3
[M+HCOO]- 390.18230 203.8
[M+CH3COO]- 404.19795 193.5
[M+Na-2H]- 366.15877 187.7
[M]+ 345.18355 182.7
[M]- 345.18465 182.7
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.