CID 5706738

4-di-2-asp

Structural Information

Molecular Formula
C18H23N2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C
InChI
InChI=1S/C18H23N2/c1-4-20(5-2)18-10-8-16(9-11-18)6-7-17-12-14-19(3)15-13-17/h6-15H,4-5H2,1-3H3/q+1
InChIKey
YCCVVPMYSGPISC-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

87
Patents

267.18613 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19341 167.6
[M+Na]+ 290.17535 173.9
[M-H]- 266.17885 174.2
[M+NH4]+ 285.21995 183.0
[M+K]+ 306.14929 164.1
[M+H-H2O]+ 250.18339 161.2
[M+HCOO]- 312.18433 190.7
[M+CH3COO]- 326.19998 199.0
[M+Na-2H]- 288.16080 173.9
[M]+ 267.18558 167.9
[M]- 267.18668 167.9
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