CID 3038495

Bp 897

Structural Information

Molecular Formula
C26H31N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
InChIKey
MNHDKMDLOJSCGN-UHFFFAOYSA-N
Compound name
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

93
References

104
Patents

417.24164 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.248916 204.3
[M+Na]+ 440.230858 206.5
[M-H]- 416.234364 209.9
[M+NH4]+ 435.275463 211.2
[M+K]+ 456.204798 199.9
[M+H-H2O]+ 400.238900 191.3
[M+HCOO]- 462.239841 218.8
[M+CH3COO]- 476.255491 210.4
[M+Na-2H]- 438.216306 205.8
[M]+ 417.24109142 201.6
[M]- 417.24218858 201.6
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