CID 5311340

Jtc-801

Structural Information

Molecular Formula
C26H25N3O2
SMILES
CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N
InChI
InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
InChIKey
VTGBZWHPJFMTKS-UHFFFAOYSA-N
Compound name
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

48
References

98
Patents

411.19467 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.20195 204.4
[M+Na]+ 434.18389 220.3
[M+NH4]+ 429.22849 211.9
[M+K]+ 450.15783 210.5
[M-H]- 410.18739 212.5
[M+Na-2H]- 432.16934 214.2
[M]+ 411.19412 209.1
[M]- 411.19522 209.1
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