CID 9567942

3h-indolium, 2-(((4-ethoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-, methyl sulfate

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-[(E)-(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 183.4
[M+Na]+ 359.19680 191.5
[M-H]- 335.20030 191.6
[M+NH4]+ 354.24140 200.8
[M+K]+ 375.17074 180.8
[M+H-H2O]+ 319.20484 177.0
[M+HCOO]- 381.20578 208.2
[M+CH3COO]- 395.22143 213.2
[M+Na-2H]- 357.18225 190.2
[M]+ 336.20703 186.6
[M]- 336.20813 186.6
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.