CID 43913

Gc 43

Structural Information

Molecular Formula
C14H32N4O2
SMILES
C[N+](C)(C)CCNC(=O)CCC(=O)NCC[N+](C)(C)C
InChI
InChI=1S/C14H30N4O2/c1-17(2,3)11-9-15-13(19)7-8-14(20)16-10-12-18(4,5)6/h7-12H2,1-6H3/p+2
InChIKey
STRCEPVKYIFIRY-UHFFFAOYSA-P
Compound name
trimethyl-[2-[[4-oxo-4-[2-(trimethylazaniumyl)ethylamino]butanoyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.25253 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25981 162.3
[M+Na]+ 311.24175 164.6
[M-H]- 287.24525 165.0
[M+NH4]+ 306.28635 223.7
[M+K]+ 327.21569 154.5
[M+H-H2O]+ 271.24979 161.6
[M+HCOO]- 333.25073 237.8
[M+CH3COO]- 347.26638 205.2
[M+Na-2H]- 309.22720 172.3
[M]+ 288.25198 162.4
[M]- 288.25308 162.4
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.