CID 39477

Brn 0588757

Structural Information

Molecular Formula
C22H29N3O4
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3OC)O
InChI
InChI=1S/C22H29N3O4/c1-17(26)23-18-7-9-20(10-8-18)29-16-19(27)15-24-11-13-25(14-12-24)21-5-3-4-6-22(21)28-2/h3-10,19,27H,11-16H2,1-2H3,(H,23,26)
InChIKey
UYHGXXBHBCRFFU-UHFFFAOYSA-N
Compound name
N-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.21582 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.22310 196.8
[M+Na]+ 422.20504 198.5
[M-H]- 398.20854 201.0
[M+NH4]+ 417.24964 202.9
[M+K]+ 438.17898 194.7
[M+H-H2O]+ 382.21308 185.2
[M+HCOO]- 444.21402 211.1
[M+CH3COO]- 458.22967 223.0
[M+Na-2H]- 420.19049 196.2
[M]+ 399.21527 194.9
[M]- 399.21637 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