CID 9844410

Daa-1097

Structural Information

Molecular Formula
C24H24ClNO3
SMILES
CC(C)OC1=CC=CC=C1CN(C2=C(C=C(C=C2)Cl)OC3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3
InChIKey
CGUBOFYHGYNUDL-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-phenoxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

27
Patents

409.14447 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.151746 198.8
[M+Na]+ 432.133688 204.5
[M-H]- 408.137194 209.3
[M+NH4]+ 427.178293 210.0
[M+K]+ 448.107628 200.0
[M+H-H2O]+ 392.141730 189.0
[M+HCOO]- 454.142671 216.8
[M+CH3COO]- 468.158321 229.3
[M+Na-2H]- 430.119136 198.6
[M]+ 409.14392142 205.1
[M]- 409.14501858 205.1
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