CID 65718

Etofamide

Structural Information

Molecular Formula
C19H20Cl2N2O5
SMILES
CCOCCN(CC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(Cl)Cl
InChI
InChI=1S/C19H20Cl2N2O5/c1-2-27-12-11-22(19(24)18(20)21)13-14-3-7-16(8-4-14)28-17-9-5-15(6-10-17)23(25)26/h3-10,18H,2,11-13H2,1H3
InChIKey
QTRALMGDQMIVFF-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(2-ethoxyethyl)-N-[[4-(4-nitrophenoxy)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

246
Patents

426.07492 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.08220 197.7
[M+Na]+ 449.06414 201.3
[M-H]- 425.06764 203.8
[M+NH4]+ 444.10874 207.7
[M+K]+ 465.03808 193.9
[M+H-H2O]+ 409.07218 194.7
[M+HCOO]- 471.07312 212.0
[M+CH3COO]- 485.08877 222.4
[M+Na-2H]- 447.04959 198.9
[M]+ 426.07437 204.5
[M]- 426.07547 204.5
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