CID 3067397

1-(3-dimethylamino-1-phenylpropyl)-4-(ethoxycarbonyl)piperazine bis(hydrogen maleate)

Structural Information

Molecular Formula
C18H29N3O2
SMILES
CCOC(=O)N1CCN(CC1)C(CCN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C18H29N3O2/c1-4-23-18(22)21-14-12-20(13-15-21)17(10-11-19(2)3)16-8-6-5-7-9-16/h5-9,17H,4,10-15H2,1-3H3
InChIKey
PPVOEXMIMVXCDD-UHFFFAOYSA-N
Compound name
ethyl 4-[3-(dimethylamino)-1-phenylpropyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.22598 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23326 180.3
[M+Na]+ 342.21520 182.0
[M-H]- 318.21870 183.8
[M+NH4]+ 337.25980 191.6
[M+K]+ 358.18914 180.3
[M+H-H2O]+ 302.22324 169.8
[M+HCOO]- 364.22418 196.5
[M+CH3COO]- 378.23983 213.4
[M+Na-2H]- 340.20065 180.0
[M]+ 319.22543 179.2
[M]- 319.22653 179.2
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

patents stripe