CID 71819

Clefamide

Structural Information

Molecular Formula
C17H16Cl2N2O5
SMILES
C1=CC(=CC=C1CN(CCO)C(=O)C(Cl)Cl)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H16Cl2N2O5/c18-16(19)17(23)20(9-10-22)11-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)21(24)25/h1-8,16,22H,9-11H2
InChIKey
ODCUSWJXZDHLKV-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(2-hydroxyethyl)-N-[[4-(4-nitrophenoxy)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

544
Patents

398.04364 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.05092 187.2
[M+Na]+ 421.03286 191.2
[M-H]- 397.03636 192.3
[M+NH4]+ 416.07746 197.6
[M+K]+ 437.00680 183.4
[M+H-H2O]+ 381.04090 185.0
[M+HCOO]- 443.04184 200.8
[M+CH3COO]- 457.05749 214.2
[M+Na-2H]- 419.01831 189.1
[M]+ 398.04309 191.6
[M]- 398.04419 191.6
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