CID 43915

Gc 47

Structural Information

Molecular Formula
C19H42N4O2
SMILES
CC[N+](CC)(CC)CCNC(=O)CC(=O)NCC[N+](CC)(CC)CC
InChI
InChI=1S/C19H40N4O2/c1-7-22(8-2,9-3)15-13-20-18(24)17-19(25)21-14-16-23(10-4,11-5)12-6/h7-17H2,1-6H3/p+2
InChIKey
SNBUBPSVZRVMMK-UHFFFAOYSA-P
Compound name
triethyl-[2-[[3-oxo-3-[2-(triethylazaniumyl)ethylamino]propanoyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.33078 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.33806 239.3
[M+Na]+ 381.32000 251.1
[M-H]- 357.32350 242.9
[M+NH4]+ 376.36460 242.0
[M+K]+ 397.29394 241.0
[M+H-H2O]+ 341.32804 183.7
[M+HCOO]- 403.32898 254.4
[M+CH3COO]- 417.34463 220.1
[M+Na-2H]- 379.30545 193.0
[M]+ 358.33023 234.3
[M]- 358.33133 234.3
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.