CID 25113124

1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1CN(CCC12COC3=C2C=C(C=C3)CN)C(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C22H24N2O2/c23-15-18-6-8-20-19(14-18)22(16-26-20)10-12-24(13-11-22)21(25)9-7-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16,23H2/b9-7+
InChIKey
RQWYWHUKHYFIPB-VQHVLOKHSA-N
Compound name
(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

348.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.191056 185.8
[M+Na]+ 371.172998 190.6
[M-H]- 347.176504 193.1
[M+NH4]+ 366.217603 200.1
[M+K]+ 387.146938 185.3
[M+H-H2O]+ 331.181040 176.3
[M+HCOO]- 393.181981 201.4
[M+CH3COO]- 407.197631 194.6
[M+Na-2H]- 369.158446 187.1
[M]+ 348.18323142 180.7
[M]- 348.18432858 180.7
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

patents stripe