CID 6508725

Fm1-43

Structural Information

Molecular Formula
C30H49N3
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC
InChI
InChI=1S/C30H49N3/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5/h14-21,25-26H,6-13,22-24,27H2,1-5H3/q+2
InChIKey
OKZXHSSXTVFTDR-UHFFFAOYSA-N
Compound name
3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

423
References

155
Patents

451.39264 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.39992 225.0
[M+Na]+ 474.38186 225.5
[M-H]- 450.38536 230.7
[M+NH4]+ 469.42646 232.8
[M+K]+ 490.35580 208.6
[M+H-H2O]+ 434.38990 218.7
[M+HCOO]- 496.39084 243.8
[M+CH3COO]- 510.40649 235.9
[M+Na-2H]- 472.36731 228.8
[M]+ 451.39209 228.1
[M]- 451.39319 228.1
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