CID 43900

Gc 48

Structural Information

Molecular Formula
C20H44N4O2
SMILES
CC[N+](CC)(CC)CCNC(=O)CCC(=O)NCC[N+](CC)(CC)CC
InChI
InChI=1S/C20H42N4O2/c1-7-23(8-2,9-3)17-15-21-19(25)13-14-20(26)22-16-18-24(10-4,11-5)12-6/h7-18H2,1-6H3/p+2
InChIKey
AKNWEPMVQSUIOA-UHFFFAOYSA-P
Compound name
triethyl-[2-[[4-oxo-4-[2-(triethylazaniumyl)ethylamino]butanoyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.34644 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.35372 243.0
[M+Na]+ 395.33566 254.6
[M-H]- 371.33916 246.2
[M+NH4]+ 390.38026 245.6
[M+K]+ 411.30960 244.8
[M+H-H2O]+ 355.34370 188.1
[M+HCOO]- 417.34464 257.6
[M+CH3COO]- 431.36029 223.0
[M+Na-2H]- 393.32111 232.1
[M]+ 372.34589 237.8
[M]- 372.34699 237.8
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.