CID 4133994

4',4''-(pentamethylenedioxy)diacetanilide

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CC(=O)NC1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C21H26N2O4/c1-16(24)22-18-6-10-20(11-7-18)26-14-4-3-5-15-27-21-12-8-19(9-13-21)23-17(2)25/h6-13H,3-5,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKey
QIHLYCRZAHFULL-UHFFFAOYSA-N
Compound name
N-[4-[5-(4-acetamidophenoxy)pentoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 190.3
[M+Na]+ 393.178488 193.5
[M-H]- 369.181994 196.0
[M+NH4]+ 388.223093 201.4
[M+K]+ 409.152428 190.5
[M+H-H2O]+ 353.186530 180.6
[M+HCOO]- 415.187471 213.5
[M+CH3COO]- 429.203121 222.4
[M+Na-2H]- 391.163936 191.7
[M]+ 370.18872142 194.0
[M]- 370.18981858 194.0
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.