CID 67108

120-00-3

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CCOC1=CC(=C(C=C1N)OCC)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)
InChIKey
CNXZLZNEIYFZGU-UHFFFAOYSA-N
Compound name
N-(4-amino-2,5-diethoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

2014
Patents

300.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 170.7
[M+Na]+ 323.13662 176.8
[M-H]- 299.14012 177.0
[M+NH4]+ 318.18122 185.0
[M+K]+ 339.11056 173.6
[M+H-H2O]+ 283.14466 162.1
[M+HCOO]- 345.14560 195.2
[M+CH3COO]- 359.16125 209.6
[M+Na-2H]- 321.12207 173.5
[M]+ 300.14685 172.4
[M]- 300.14795 172.4
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