CID 378555

Nsc661193

Structural Information

Molecular Formula
C21H24Cl2N2O3
SMILES
CC(C)(C(=O)NCCN(C)C)OC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C21H24Cl2N2O3/c1-21(2,20(27)24-11-12-25(3)4)28-18-10-7-15(13-17(18)23)19(26)14-5-8-16(22)9-6-14/h5-10,13H,11-12H2,1-4H3,(H,24,27)
InChIKey
OFXHVBRKCHCHNV-UHFFFAOYSA-N
Compound name
2-[2-chloro-4-(4-chlorobenzoyl)phenoxy]-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1164 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.12368 198.7
[M+Na]+ 445.10562 204.8
[M-H]- 421.10912 205.9
[M+NH4]+ 440.15022 210.4
[M+K]+ 461.07956 200.0
[M+H-H2O]+ 405.11366 191.7
[M+HCOO]- 467.11460 211.2
[M+CH3COO]- 481.13025 233.0
[M+Na-2H]- 443.09107 198.5
[M]+ 422.11585 206.3
[M]- 422.11695 206.3
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.