CID 2738863

Maybridge4_003923

Structural Information

Molecular Formula
C22H28N4O3
SMILES
C1COCCN1C2=NC=C(C=C2)C(=O)NCC3CN(CCO3)CC4=CC=CC=C4
InChI
InChI=1S/C22H28N4O3/c27-22(19-6-7-21(23-14-19)26-9-11-28-12-10-26)24-15-20-17-25(8-13-29-20)16-18-4-2-1-3-5-18/h1-7,14,20H,8-13,15-17H2,(H,24,27)
InChIKey
YPPOMKOXHOQTCK-UHFFFAOYSA-N
Compound name
N-[(4-benzylmorpholin-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

396.21616 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.223436 198.0
[M+Na]+ 419.205378 198.4
[M-H]- 395.208884 205.1
[M+NH4]+ 414.249983 199.9
[M+K]+ 435.179318 195.4
[M+H-H2O]+ 379.213420 183.9
[M+HCOO]- 441.214361 208.1
[M+CH3COO]- 455.230011 203.5
[M+Na-2H]- 417.190826 199.3
[M]+ 396.21561142 191.2
[M]- 396.21670858 191.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.