CID 54353

Bis((mesitylcarbamoyl)methyl)diethylammonium chloride

Structural Information

Molecular Formula
C26H38N3O2
SMILES
CC[N+](CC)(CC(=O)NC1=C(C=C(C=C1C)C)C)CC(=O)NC2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C26H37N3O2/c1-9-29(10-2,15-23(30)27-25-19(5)11-17(3)12-20(25)6)16-24(31)28-26-21(7)13-18(4)14-22(26)8/h11-14H,9-10,15-16H2,1-8H3,(H-,27,28,30,31)/p+1
InChIKey
ISJRDDPFNZKQQV-UHFFFAOYSA-O
Compound name
diethyl-bis[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.29642 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.30370 208.2
[M+Na]+ 447.28564 212.8
[M-H]- 423.28914 216.3
[M+NH4]+ 442.33024 218.9
[M+K]+ 463.25958 203.4
[M+H-H2O]+ 407.29368 202.0
[M+HCOO]- 469.29462 229.5
[M+CH3COO]- 483.31027 238.3
[M+Na-2H]- 445.27109 208.5
[M]+ 424.29587 211.3
[M]- 424.29697 211.3
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.