CID 9845214

Sb-237376 free base

Structural Information

Molecular Formula
C20H25N3O5
SMILES
COC1=C(C=C(C=C1)CCNCCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C20H25N3O5/c1-27-18-9-4-15(14-19(18)28-2)10-13-21-11-3-12-22-20(24)16-5-7-17(8-6-16)23(25)26/h4-9,14,21H,3,10-13H2,1-2H3,(H,22,24)
InChIKey
XEAKAKKNLOUHDV-UHFFFAOYSA-N
Compound name
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

387.1794 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.18668 192.4
[M+Na]+ 410.16862 203.2
[M+NH4]+ 405.21322 197.5
[M+K]+ 426.14256 199.3
[M-H]- 386.17212 197.3
[M+Na-2H]- 408.15407 198.0
[M]+ 387.17885 194.9
[M]- 387.17995 194.9
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

patents stripe