CID 117951478

1675203-84-5

Structural Information

Molecular Formula
C25H29N3O3
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)COC3=NC(=C(C=C3)CNCCNC(=O)C)OC
InChI
InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
InChIKey
JEDPSOYOYVELLZ-UHFFFAOYSA-N
Compound name
N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridin-3-yl]methylamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

59
References

311
Patents

419.2209 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.22818 204.7
[M+Na]+ 442.21012 209.1
[M-H]- 418.21362 212.5
[M+NH4]+ 437.25472 212.5
[M+K]+ 458.18406 204.0
[M+H-H2O]+ 402.21816 192.8
[M+HCOO]- 464.21910 226.9
[M+CH3COO]- 478.23475 233.7
[M+Na-2H]- 440.19557 206.4
[M]+ 419.22035 208.2
[M]- 419.22145 208.2
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