CID 5473804

Zezajsxpywdfmo-uhfffaoysa-m

Structural Information

Molecular Formula
C24H31N2
SMILES
CCN(CC)C1=CC(=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C)C
InChI
InChI=1S/C24H31N2/c1-7-26(8-2)20-15-13-19(18(3)17-20)14-16-23-24(4,5)21-11-9-10-12-22(21)25(23)6/h9-17H,7-8H2,1-6H3/q+1
InChIKey
PNZRIPDUNIGSOU-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

347.24872 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.25600 190.6
[M+Na]+ 370.23794 199.1
[M-H]- 346.24144 198.8
[M+NH4]+ 365.28254 208.3
[M+K]+ 386.21188 187.6
[M+H-H2O]+ 330.24598 184.6
[M+HCOO]- 392.24692 212.1
[M+CH3COO]- 406.26257 217.1
[M+Na-2H]- 368.22339 193.1
[M]+ 347.24817 193.8
[M]- 347.24927 193.8
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