CID 31059

Cl 71366

Structural Information

Molecular Formula
C16H27N3O
SMILES
CN(C)CCCN1CCN(CC1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H27N3O/c1-17(2)9-4-10-18-11-13-19(14-12-18)15-5-7-16(20-3)8-6-15/h5-8H,4,9-14H2,1-3H3
InChIKey
MOYBVKHVBFCEQA-UHFFFAOYSA-N
Compound name
3-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.21542 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.22270 169.4
[M+Na]+ 300.20464 173.0
[M-H]- 276.20814 173.3
[M+NH4]+ 295.24924 182.8
[M+K]+ 316.17858 170.8
[M+H-H2O]+ 260.21268 159.2
[M+HCOO]- 322.21362 187.8
[M+CH3COO]- 336.22927 206.9
[M+Na-2H]- 298.19009 171.6
[M]+ 277.21487 168.5
[M]- 277.21597 168.5
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.