CID 3088684

N-(4-dimethylaminophenyl)-2-(4-(3-hydroxypropyl)-1-piperazinyl)acetamide dimaleate hemihydrate

Structural Information

Molecular Formula
C17H28N4O2
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CCCO
InChI
InChI=1S/C17H28N4O2/c1-19(2)16-6-4-15(5-7-16)18-17(23)14-21-11-9-20(10-12-21)8-3-13-22/h4-7,22H,3,8-14H2,1-2H3,(H,18,23)
InChIKey
ZWUWUJWUHMPTDY-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.22122 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.22850 179.2
[M+Na]+ 343.21044 181.1
[M-H]- 319.21394 181.7
[M+NH4]+ 338.25504 189.6
[M+K]+ 359.18438 178.3
[M+H-H2O]+ 303.21848 168.9
[M+HCOO]- 365.21942 196.2
[M+CH3COO]- 379.23507 214.1
[M+Na-2H]- 341.19589 180.0
[M]+ 320.22067 176.2
[M]- 320.22177 176.2
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.