CID 59735

Iem-269

Structural Information

Molecular Formula
C20H36N4O2
SMILES
CC[N+](C)(CC)CC(=O)NC1=CC(=CC=C1)NC(=O)C[N+](C)(CC)CC
InChI
InChI=1S/C20H34N4O2/c1-7-23(5,8-2)15-19(25)21-17-12-11-13-18(14-17)22-20(26)16-24(6,9-3)10-4/h11-14H,7-10,15-16H2,1-6H3/p+2
InChIKey
FSCJPMPUDUDPFM-UHFFFAOYSA-P
Compound name
[2-[3-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]anilino]-2-oxoethyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2838 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.29108 187.9
[M+Na]+ 387.27302 198.2
[M+NH4]+ 382.31762 195.3
[M+K]+ 403.24696 227.7
[M-H]- 363.27652 193.5
[M+Na-2H]- 385.25847 194.0
[M]+ 364.28325 191.5
[M]- 364.28435 191.5
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.