CID 3085126

57571-54-7

Structural Information

Molecular Formula
C19H19Cl2N
SMILES
CN1CCC2C(C1)C3=C(C2C4=CC=C(C=C4)Cl)C=C(C=C3)Cl
InChI
InChI=1S/C19H19Cl2N/c1-22-9-8-16-18(11-22)15-7-6-14(21)10-17(15)19(16)12-2-4-13(20)5-3-12/h2-7,10,16,18-19H,8-9,11H2,1H3
InChIKey
CYNOIDSFCNRVHZ-UHFFFAOYSA-N
Compound name
7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

331.08945 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09673 179.6
[M+Na]+ 354.07867 189.4
[M-H]- 330.08217 185.3
[M+NH4]+ 349.12327 197.5
[M+K]+ 370.05261 180.7
[M+H-H2O]+ 314.08671 172.0
[M+HCOO]- 376.08765 186.9
[M+CH3COO]- 390.10330 189.9
[M+Na-2H]- 352.06412 179.4
[M]+ 331.08890 180.0
[M]- 331.09000 180.0
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