CID 6454802

64130-98-9

Structural Information

Molecular Formula
C21H26N3O
SMILES
CCOC1=CC=C(C=C1)CN/N=C\C2=[N+](C3=CC=CC=C3C2(C)C)C
InChI
InChI=1S/C21H25N3O/c1-5-25-17-12-10-16(11-13-17)14-22-23-15-20-21(2,3)18-8-6-7-9-19(18)24(20)4/h6-13,15H,5,14H2,1-4H3/p+1
InChIKey
OIHVYSGLURXBSI-UHFFFAOYSA-O
Compound name
1-(4-ethoxyphenyl)-N-[(Z)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.20758 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21486 180.9
[M+Na]+ 359.19680 196.3
[M+NH4]+ 354.24140 191.6
[M+K]+ 375.17074 187.6
[M-H]- 335.20030 188.3
[M+Na-2H]- 357.18225 190.9
[M]+ 336.20703 185.8
[M]- 336.20813 185.8
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

No patent data available for this compound.