CID 20131

Ammonium, dimethyl((o-tolylcarbamoyl)methyl)((2,6-xylylcarbamoyl)methyl)-, chloride

Structural Information

Molecular Formula
C21H28N3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C21H27N3O2/c1-15-9-6-7-12-18(15)22-19(25)13-24(4,5)14-20(26)23-21-16(2)10-8-11-17(21)3/h6-12H,13-14H2,1-5H3,(H-,22,23,25,26)/p+1
InChIKey
FOQKGOMFQLLBOJ-UHFFFAOYSA-O
Compound name
[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-[2-(2-methylanilino)-2-oxoethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.21814 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22542 186.2
[M+Na]+ 377.20736 190.3
[M-H]- 353.21086 194.1
[M+NH4]+ 372.25196 198.9
[M+K]+ 393.18130 181.6
[M+H-H2O]+ 337.21540 180.2
[M+HCOO]- 399.21634 209.3
[M+CH3COO]- 413.23199 219.7
[M+Na-2H]- 375.19281 191.0
[M]+ 354.21759 186.3
[M]- 354.21869 186.3
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.