CID 6022132

95378-72-6

Structural Information

Molecular Formula
C22H31N2
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C
InChI
InChI=1S/C22H31N2/c1-4-6-16-24(17-7-5-2)22-12-10-20(11-13-22)8-9-21-14-18-23(3)19-15-21/h8-15,18-19H,4-7,16-17H2,1-3H3/q+1
InChIKey
QRCQURXDVGWMDR-UHFFFAOYSA-N
Compound name
N,N-dibutyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

323.24872 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.25600 186.4
[M+Na]+ 346.23794 190.9
[M-H]- 322.24144 192.1
[M+NH4]+ 341.28254 199.4
[M+K]+ 362.21188 180.1
[M+H-H2O]+ 306.24598 179.1
[M+HCOO]- 368.24692 208.0
[M+CH3COO]- 382.26257 211.0
[M+Na-2H]- 344.22339 190.4
[M]+ 323.24817 188.0
[M]- 323.24927 188.0
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