CID 19980

Ammonium, (((6-chloro-o-tolyl)carbamoyl)methyl)dimethyl((phenylcarbamoyl)methyl)-, chloride

Structural Information

Molecular Formula
C19H23ClN3O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C19H22ClN3O2/c1-14-8-7-11-16(20)19(14)22-18(25)13-23(2,3)12-17(24)21-15-9-5-4-6-10-15/h4-11H,12-13H2,1-3H3,(H-,21,22,24,25)/p+1
InChIKey
MXGARGGHCMZVCE-UHFFFAOYSA-O
Compound name
(2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1479 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15518 184.9
[M+Na]+ 383.13712 198.4
[M+NH4]+ 378.18172 193.0
[M+K]+ 399.11106 191.8
[M-H]- 359.14062 191.6
[M+Na-2H]- 381.12257 193.8
[M]+ 360.14735 189.3
[M]- 360.14845 189.3
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.