CID 23635314

Kx2-391

Structural Information

Molecular Formula
C26H29N3O3
SMILES
C1COCCN1CCOC2=CC=C(C=C2)C3=CN=C(C=C3)CC(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
InChIKey
HUNGUWOZPQBXGX-UHFFFAOYSA-N
Compound name
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

61
References

1124
Patents

431.2209 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.22818 206.4
[M+Na]+ 454.21012 207.7
[M-H]- 430.21362 214.7
[M+NH4]+ 449.25472 209.6
[M+K]+ 470.18406 202.8
[M+H-H2O]+ 414.21816 192.4
[M+HCOO]- 476.21910 221.7
[M+CH3COO]- 490.23475 212.4
[M+Na-2H]- 452.19557 208.4
[M]+ 431.22035 203.8
[M]- 431.22145 203.8
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