CID 59877

Benzenamine, 4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)-n-methyl-, trihydrochloride, hydrate

Structural Information

Molecular Formula
C21H29N3O2
SMILES
CNC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C21H29N3O2/c1-22-18-8-10-19(11-9-18)26-17-5-12-23-13-15-24(16-14-23)20-6-3-4-7-21(20)25-2/h3-4,6-11,22H,5,12-17H2,1-2H3
InChIKey
GUSJVYTZHIDOCK-UHFFFAOYSA-N
Compound name
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.22598 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.23326 188.2
[M+Na]+ 378.21520 191.5
[M-H]- 354.21870 193.6
[M+NH4]+ 373.25980 197.3
[M+K]+ 394.18914 186.5
[M+H-H2O]+ 338.22324 176.2
[M+HCOO]- 400.22418 205.8
[M+CH3COO]- 414.23983 217.6
[M+Na-2H]- 376.20065 190.3
[M]+ 355.22543 186.8
[M]- 355.22653 186.8
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.