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]+ 371.19655 190.3
[M+Na]+ 393.17849 193.5
[M-H]- 369.18199 196.0
[M+NH4]+ 388.22309 201.4
[M+K]+ 409.15243 190.5
[M+H-H2O]+ 353.18653 180.6
[M+HCOO]- 415.18747 213.5
[M+CH3COO]- 429.20312 222.4
[M+Na-2H]- 391.16394 191.7
[M]+ 370.18872 194.0
[M]- 370.18982 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.