CID 55421

Brn 4019111

Structural Information

Molecular Formula
C22H29N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C22H29N3O3/c1-18(26)23-19-8-10-20(11-9-19)28-17-5-12-24-13-15-25(16-14-24)21-6-3-4-7-22(21)27-2/h3-4,6-11H,5,12-17H2,1-2H3,(H,23,26)
InChIKey
CLCFXDSSPUCCKP-UHFFFAOYSA-N
Compound name
N-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.2209 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 194.7
[M+Na]+ 406.21012 197.4
[M-H]- 382.21362 200.1
[M+NH4]+ 401.25472 202.4
[M+K]+ 422.18406 192.9
[M+H-H2O]+ 366.21816 182.6
[M+HCOO]- 428.21910 211.3
[M+CH3COO]- 442.23475 222.2
[M+Na-2H]- 404.19557 195.3
[M]+ 383.22035 193.7
[M]- 383.22145 193.7
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