CID 203760

L.m. 2025

Structural Information

Molecular Formula
C24H46N4O2
SMILES
CC[N+](CC)(CC)CCCON=C1C=CC(=NOCCC[N+](CC)(CC)CC)C=C1
InChI
InChI=1S/C24H46N4O2/c1-7-27(8-2,9-3)19-13-21-29-25-23-15-17-24(18-16-23)26-30-22-14-20-28(10-4,11-5)12-6/h15-18H,7-14,19-22H2,1-6H3/q+2
InChIKey
DXDRZMUGWADJLH-UHFFFAOYSA-N
Compound name
triethyl-[3-[[4-[3-(triethylazaniumyl)propoxyimino]cyclohexa-2,5-dien-1-ylidene]amino]oxypropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.3621 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.369376 205.4
[M+Na]+ 445.351318 205.5
[M-H]- 421.354824 212.1
[M+NH4]+ 440.395923 255.5
[M+K]+ 461.325258 193.2
[M+H-H2O]+ 405.359360 201.2
[M+HCOO]- 467.360301 278.0
[M+CH3COO]- 481.375951 236.1
[M+Na-2H]- 443.336766 214.4
[M]+ 422.36155142 210.6
[M]- 422.36264858 210.6
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.