CID 5043404

2-[2-[4-(diethylamino)phenyl]vinyl]-1-ethylpyridinium iodide

Structural Information

Molecular Formula
C19H25N2
SMILES
CC[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(CC)CC
InChI
InChI=1S/C19H25N2/c1-4-20(5-2)19-14-11-17(12-15-19)10-13-18-9-7-8-16-21(18)6-3/h7-16H,4-6H2,1-3H3/q+1
InChIKey
NNTDROPABZJNLP-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

281.20178 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.20906 172.4
[M+Na]+ 304.19100 178.1
[M-H]- 280.19450 178.7
[M+NH4]+ 299.23560 187.1
[M+K]+ 320.16494 168.1
[M+H-H2O]+ 264.19904 165.7
[M+HCOO]- 326.19998 195.1
[M+CH3COO]- 340.21563 202.0
[M+Na-2H]- 302.17645 178.0
[M]+ 281.20123 173.0
[M]- 281.20233 173.0
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

patents stripe