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 175.0
[M+Na]+ 334.18899 178.6
[M-H]- 310.19249 182.2
[M+NH4]+ 329.23359 188.1
[M+K]+ 350.16293 174.9
[M+H-H2O]+ 294.19703 163.8
[M+HCOO]- 356.19797 196.0
[M+CH3COO]- 370.21362 210.0
[M+Na-2H]- 332.17444 177.2
[M]+ 311.19922 174.4
[M]- 311.20032 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