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 184.6
[M+Na]+ 387.27302 186.0
[M-H]- 363.27652 190.0
[M+NH4]+ 382.31762 197.1
[M+K]+ 403.24696 173.9
[M+H-H2O]+ 347.28106 182.1
[M+HCOO]- 409.28200 206.9
[M+CH3COO]- 423.29765 219.5
[M+Na-2H]- 385.25847 193.6
[M]+ 364.28325 184.9
[M]- 364.28435 184.9
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.