CID 24842934

102207-37-4

Structural Information

Molecular Formula
C21H29N2O
SMILES
C[N+]1(CCCCC1)CCN(C2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H29N2O/c1-23(16-7-4-8-17-23)18-15-22(19-9-5-3-6-10-19)20-11-13-21(24-2)14-12-20/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3/q+1
InChIKey
QCZCZRDKXDKHSX-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.228 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.235276 182.0
[M+Na]+ 348.217218 184.3
[M-H]- 324.220724 190.0
[M+NH4]+ 343.261823 195.7
[M+K]+ 364.191158 175.0
[M+H-H2O]+ 308.225260 173.7
[M+HCOO]- 370.226201 200.7
[M+CH3COO]- 384.241851 206.8
[M+Na-2H]- 346.202666 187.5
[M]+ 325.22745142 177.7
[M]- 325.22854858 177.7
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.