CID 54760

Lorzafone

Structural Information

Molecular Formula
C18H17Cl2N3O3
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CNC(=O)CN
InChI
InChI=1S/C18H17Cl2N3O3/c1-23(17(25)10-22-16(24)9-21)15-7-6-11(19)8-13(15)18(26)12-4-2-3-5-14(12)20/h2-8H,9-10,21H2,1H3,(H,22,24)
InChIKey
RCPMGOCZIHMTRD-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

235
Patents

393.0647 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.07198 190.2
[M+Na]+ 416.05392 196.4
[M-H]- 392.05742 197.2
[M+NH4]+ 411.09852 202.2
[M+K]+ 432.02786 191.6
[M+H-H2O]+ 376.06196 183.4
[M+HCOO]- 438.06290 205.0
[M+CH3COO]- 452.07855 228.2
[M+Na-2H]- 414.03937 188.7
[M]+ 393.06415 194.3
[M]- 393.06525 194.3
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