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]+ 326.23528 182.0
[M+Na]+ 348.21722 184.3
[M-H]- 324.22072 190.0
[M+NH4]+ 343.26182 195.7
[M+K]+ 364.19116 175.0
[M+H-H2O]+ 308.22526 173.7
[M+HCOO]- 370.22620 200.7
[M+CH3COO]- 384.24185 206.8
[M+Na-2H]- 346.20267 187.5
[M]+ 325.22745 177.7
[M]- 325.22855 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.