CID 54986

2',2''-dimethoxy-4',4''-biacetanilide

Structural Information

Molecular Formula
C18H20N2O4
SMILES
CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)C)OC)OC
InChI
InChI=1S/C18H20N2O4/c1-11(21)19-15-7-5-13(9-17(15)23-3)14-6-8-16(20-12(2)22)18(10-14)24-4/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKey
NIYPWEHXGKGWAE-UHFFFAOYSA-N
Compound name
N-[4-(4-acetamido-3-methoxyphenyl)-2-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

2
Patents

328.1423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 176.8
[M+Na]+ 351.13152 183.3
[M-H]- 327.13502 184.0
[M+NH4]+ 346.17612 190.4
[M+K]+ 367.10546 181.1
[M+H-H2O]+ 311.13956 168.2
[M+HCOO]- 373.14050 201.0
[M+CH3COO]- 387.15615 216.1
[M+Na-2H]- 349.11697 178.3
[M]+ 328.14175 180.4
[M]- 328.14285 180.4
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