CID 127200

Pyrilamine n-oxide

Structural Information

Molecular Formula
C17H23N3O2
SMILES
C[N+](C)(CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2)[O-]
InChI
InChI=1S/C17H23N3O2/c1-20(2,21)13-12-19(17-6-4-5-11-18-17)14-15-7-9-16(22-3)10-8-15/h4-11H,12-14H2,1-3H3
InChIKey
IQDUZGGMNVZTAI-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]-N,N-dimethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

301.17902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.186296 169.9
[M+Na]+ 324.168238 174.1
[M-H]- 300.171744 176.0
[M+NH4]+ 319.212843 183.1
[M+K]+ 340.142178 167.2
[M+H-H2O]+ 284.176280 165.2
[M+HCOO]- 346.177221 193.5
[M+CH3COO]- 360.192871 205.2
[M+Na-2H]- 322.153686 178.8
[M]+ 301.17847142 170.5
[M]- 301.17956858 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.