CID 53435775

24447-83-4

Structural Information

Molecular Formula
C20H23N3
SMILES
C1=CC=C(C=C1)N(CC[N+]2=CC=CC=C2)CC[N+]3=CC=CC=C3
InChI
InChI=1S/C20H23N3/c1-4-10-20(11-5-1)23(18-16-21-12-6-2-7-13-21)19-17-22-14-8-3-9-15-22/h1-15H,16-19H2/q+2
InChIKey
DYXYGAGTBKRLAJ-UHFFFAOYSA-N
Compound name
N,N-bis(2-pyridin-1-ium-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.196476 180.2
[M+Na]+ 328.178418 183.7
[M-H]- 304.181924 187.4
[M+NH4]+ 323.223023 190.5
[M+K]+ 344.152358 167.8
[M+H-H2O]+ 288.186460 173.5
[M+HCOO]- 350.187401 201.1
[M+CH3COO]- 364.203051 197.5
[M+Na-2H]- 326.163866 191.0
[M]+ 305.18865142 177.5
[M]- 305.18974858 177.5
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.