CID 3067391

4-(3-(dimethylamino)-1-phenylpropyl)-1-piperazinepropanol maleate (1:3)

Structural Information

Molecular Formula
C18H31N3O
SMILES
CN(C)CCC(C1=CC=CC=C1)N2CCN(CC2)CCCO
InChI
InChI=1S/C18H31N3O/c1-19(2)11-9-18(17-7-4-3-5-8-17)21-14-12-20(13-15-21)10-6-16-22/h3-5,7-8,18,22H,6,9-16H2,1-2H3
InChIKey
USISAWMUYLOBTG-UHFFFAOYSA-N
Compound name
3-[4-[3-(dimethylamino)-1-phenylpropyl]piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.2467 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.25398 178.3
[M+Na]+ 328.23592 179.4
[M-H]- 304.23942 180.1
[M+NH4]+ 323.28052 189.4
[M+K]+ 344.20986 176.3
[M+H-H2O]+ 288.24396 167.9
[M+HCOO]- 350.24490 193.5
[M+CH3COO]- 364.26055 210.1
[M+Na-2H]- 326.22137 178.6
[M]+ 305.24615 175.3
[M]- 305.24725 175.3
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

patents stripe