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

1
Patents

311.19977 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.207046 175.0
[M+Na]+ 334.188988 178.6
[M-H]- 310.192494 182.2
[M+NH4]+ 329.233593 188.1
[M+K]+ 350.162928 174.9
[M+H-H2O]+ 294.197030 163.8
[M+HCOO]- 356.197971 196.0
[M+CH3COO]- 370.213621 210.0
[M+Na-2H]- 332.174436 177.2
[M]+ 311.19922142 174.4
[M]- 311.20031858 174.4
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