CID 3987994

4',4'''-(trimethylenedioxy)diacetanilide

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CC(=O)NC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C19H22N2O4/c1-14(22)20-16-4-8-18(9-5-16)24-12-3-13-25-19-10-6-17(7-11-19)21-15(2)23/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
GQLHHLBGKVCSBJ-UHFFFAOYSA-N
Compound name
N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

342.15796 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 181.3
[M+Na]+ 365.14718 185.4
[M-H]- 341.15068 187.5
[M+NH4]+ 360.19178 193.6
[M+K]+ 381.12112 182.8
[M+H-H2O]+ 325.15522 172.0
[M+HCOO]- 387.15616 205.2
[M+CH3COO]- 401.17181 216.5
[M+Na-2H]- 363.13263 183.7
[M]+ 342.15741 184.3
[M]- 342.15851 184.3
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