CID 33841

Aniline, p-methoxy-n-(2-pyridylmethyl)-n-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C19H25N3O
SMILES
COC1=CC=C(C=C1)N(CCN2CCCC2)CC3=CC=CC=N3
InChI
InChI=1S/C19H25N3O/c1-23-19-9-7-18(8-10-19)22(15-14-21-12-4-5-13-21)16-17-6-2-3-11-20-17/h2-3,6-11H,4-5,12-16H2,1H3
InChIKey
IVGQOXLSSOMKAB-UHFFFAOYSA-N
Compound name
4-methoxy-N-(pyridin-2-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.19977 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 176.9
[M+Na]+ 334.18899 189.3
[M+NH4]+ 329.23359 185.0
[M+K]+ 350.16293 182.8
[M-H]- 310.19249 182.7
[M+Na-2H]- 332.17444 186.1
[M]+ 311.19922 180.2
[M]- 311.20032 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.