CID 20801

Ammonium, (((6-chloro-o-tolyl)carbamoyl)methyl)dimethyl((2,6-xylylcarbamoyl)methyl)-, bromide

Structural Information

Molecular Formula
C21H27ClN3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C21H26ClN3O2/c1-14-8-6-9-15(2)20(14)23-18(26)12-25(4,5)13-19(27)24-21-16(3)10-7-11-17(21)22/h6-11H,12-13H2,1-5H3,(H-,23,24,26,27)/p+1
InChIKey
JHLRCBTUHLMNSE-UHFFFAOYSA-O
Compound name
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17917 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18645 194.3
[M+Na]+ 411.16839 208.1
[M+NH4]+ 406.21299 202.1
[M+K]+ 427.14233 201.4
[M-H]- 387.17189 201.0
[M+Na-2H]- 409.15384 202.2
[M]+ 388.17862 198.8
[M]- 388.17972 198.8
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.