CID 475450

Schembl8791109

Structural Information

Molecular Formula
C19H18Cl2N2O2
SMILES
CC(=O)C1=C(C=C2CCCC2=C1)NC(C3=C(C=CC=C3Cl)Cl)C(=O)N
InChI
InChI=1S/C19H18Cl2N2O2/c1-10(24)13-8-11-4-2-5-12(11)9-16(13)23-18(19(22)25)17-14(20)6-3-7-15(17)21/h3,6-9,18,23H,2,4-5H2,1H3,(H2,22,25)
InChIKey
SURCRMLBZVOMPW-UHFFFAOYSA-N
Compound name
2-[(6-acetyl-2,3-dihydro-1H-inden-5-yl)amino]-2-(2,6-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

376.07452 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08180 188.5
[M+Na]+ 399.06374 195.8
[M-H]- 375.06724 195.0
[M+NH4]+ 394.10834 203.8
[M+K]+ 415.03768 188.9
[M+H-H2O]+ 359.07178 182.8
[M+HCOO]- 421.07272 199.9
[M+CH3COO]- 435.08837 221.7
[M+Na-2H]- 397.04919 185.8
[M]+ 376.07397 190.3
[M]- 376.07507 190.3
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