CID 55422

Brn 4577798

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.