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

0
Patents

422.3621 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.36938 205.4
[M+Na]+ 445.35132 205.5
[M-H]- 421.35482 212.1
[M+NH4]+ 440.39592 255.5
[M+K]+ 461.32526 193.2
[M+H-H2O]+ 405.35936 201.2
[M+HCOO]- 467.36030 278.0
[M+CH3COO]- 481.37595 236.1
[M+Na-2H]- 443.33677 214.4
[M]+ 422.36155 210.6
[M]- 422.36265 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.