CID 23653530

4-(2-aminoethoxy)-3,5-dichloro-n-[3-(1-methylethoxy)phenyl]benzamide

Structural Information

Molecular Formula
C18H20Cl2N2O3
SMILES
CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC(=C(C(=C2)Cl)OCCN)Cl
InChI
InChI=1S/C18H20Cl2N2O3/c1-11(2)25-14-5-3-4-13(10-14)22-18(23)12-8-15(19)17(16(20)9-12)24-7-6-21/h3-5,8-11H,6-7,21H2,1-2H3,(H,22,23)
InChIKey
AYKUIRSGEMLIFT-UHFFFAOYSA-N
Compound name
4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

382.08508 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09236 187.5
[M+Na]+ 405.07430 195.0
[M-H]- 381.07780 193.2
[M+NH4]+ 400.11890 200.2
[M+K]+ 421.04824 189.3
[M+H-H2O]+ 365.08234 180.9
[M+HCOO]- 427.08328 201.3
[M+CH3COO]- 441.09893 222.3
[M+Na-2H]- 403.05975 186.7
[M]+ 382.08453 193.2
[M]- 382.08563 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe