CID 3963

Loviride

Structural Information

Molecular Formula
C17H16Cl2N2O2
SMILES
CC1=CC(=C(C=C1)C(=O)C)NC(C2=C(C=CC=C2Cl)Cl)C(=O)N
InChI
InChI=1S/C17H16Cl2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)
InChIKey
CJPLEFFCVDQQFZ-UHFFFAOYSA-N
Compound name
2-(2-acetyl-5-methylanilino)-2-(2,6-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

63
References

9002
Patents

350.05887 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06615 178.9
[M+Na]+ 373.04809 187.0
[M-H]- 349.05159 184.9
[M+NH4]+ 368.09269 192.7
[M+K]+ 389.02203 180.7
[M+H-H2O]+ 333.05613 173.1
[M+HCOO]- 395.05707 192.1
[M+CH3COO]- 409.07272 218.1
[M+Na-2H]- 371.03354 177.5
[M]+ 350.05832 181.8
[M]- 350.05942 181.8
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