CID 103232

65122-07-8

Structural Information

Molecular Formula
C21H26N3O
SMILES
CCOC1=CC=C(C=C1)N(C)N=CC2=[N+](C3=CC=CC=C3C2(C)C)C
InChI
InChI=1S/C21H26N3O/c1-6-25-17-13-11-16(12-14-17)24(5)22-15-20-21(2,3)18-9-7-8-10-19(18)23(20)4/h7-15H,6H2,1-5H3/q+1
InChIKey
GDSBEINZXRVWPZ-UHFFFAOYSA-N
Compound name
4-ethoxy-N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.20758 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21486 183.8
[M+Na]+ 359.19680 192.0
[M-H]- 335.20030 193.5
[M+NH4]+ 354.24140 201.8
[M+K]+ 375.17074 182.7
[M+H-H2O]+ 319.20484 177.3
[M+HCOO]- 381.20578 209.1
[M+CH3COO]- 395.22143 216.5
[M+Na-2H]- 357.18225 189.8
[M]+ 336.20703 188.2
[M]- 336.20813 188.2
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.