CID 6434679

Gc 64

Structural Information

Molecular Formula
C14H30N4O2
SMILES
C[N+](C)(C)CCNC(=O)/C=C/C(=O)NCC[N+](C)(C)C
InChI
InChI=1S/C14H28N4O2/c1-17(2,3)11-9-15-13(19)7-8-14(20)16-10-12-18(4,5)6/h7-8H,9-12H2,1-6H3/p+2/b8-7+
InChIKey
UVJAEYPUCPIZKV-BQYQJAHWSA-P
Compound name
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.23688 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.24416 161.2
[M+Na]+ 309.22610 163.8
[M-H]- 285.22960 163.9
[M+NH4]+ 304.27070 221.3
[M+K]+ 325.20004 153.1
[M+H-H2O]+ 269.23414 160.6
[M+HCOO]- 331.23508 235.9
[M+CH3COO]- 345.25073 203.3
[M+Na-2H]- 307.21155 171.2
[M]+ 286.23633 160.5
[M]- 286.23743 160.5
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.