CID 57871

100468-78-8

Structural Information

Molecular Formula
C22H40N4O2
SMILES
CC[N+](C)(CC)CC(=O)NC1=CC(=C(C=C1C)C)NC(=O)C[N+](C)(CC)CC
InChI
InChI=1S/C22H38N4O2/c1-9-25(7,10-2)15-21(27)23-19-14-20(18(6)13-17(19)5)24-22(28)16-26(8,11-3)12-4/h13-14H,9-12,15-16H2,1-8H3/p+2
InChIKey
OIWOFUUOXHRWJM-UHFFFAOYSA-P
Compound name
[2-[5-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]-2,4-dimethylanilino]-2-oxoethyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.31512 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.32240 192.8
[M+Na]+ 415.30434 195.2
[M-H]- 391.30784 198.5
[M+NH4]+ 410.34894 204.8
[M+K]+ 431.27828 182.8
[M+H-H2O]+ 375.31238 190.5
[M+HCOO]- 437.31332 214.4
[M+CH3COO]- 451.32897 227.7
[M+Na-2H]- 413.28979 199.7
[M]+ 392.31457 194.4
[M]- 392.31567 194.4
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.