CID 475449

Schembl8791582

Structural Information

Molecular Formula
C18H16Cl2N2O2
SMILES
CC1=CC2=C(C(=O)CC2)C(=C1)NC(C3=C(C=CC=C3Cl)Cl)C(=O)N
InChI
InChI=1S/C18H16Cl2N2O2/c1-9-7-10-5-6-14(23)15(10)13(8-9)22-17(18(21)24)16-11(19)3-2-4-12(16)20/h2-4,7-8,17,22H,5-6H2,1H3,(H2,21,24)
InChIKey
KBFFYFWPWJNWJQ-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-2-[(6-methyl-3-oxo-1,2-dihydroinden-4-yl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

362.05887 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06615 184.6
[M+Na]+ 385.04809 193.5
[M-H]- 361.05159 191.5
[M+NH4]+ 380.09269 200.8
[M+K]+ 401.02203 186.3
[M+H-H2O]+ 345.05613 179.1
[M+HCOO]- 407.05707 197.2
[M+CH3COO]- 421.07272 219.2
[M+Na-2H]- 383.03354 182.7
[M]+ 362.05832 186.9
[M]- 362.05942 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe