CID 129967

123424-57-7

Structural Information

Molecular Formula
C19H20ClNO
SMILES
CN1CCC2=C(C=CC(=C2)Cl)C(C1)C3=CC=CC4=C3OCC4
InChI
InChI=1S/C19H20ClNO/c1-21-9-7-14-11-15(20)5-6-16(14)18(12-21)17-4-2-3-13-8-10-22-19(13)17/h2-6,11,18H,7-10,12H2,1H3
InChIKey
MAUFEMWATYGIAF-UHFFFAOYSA-N
Compound name
8-chloro-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

313.12335 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13063 173.6
[M+Na]+ 336.11257 182.1
[M-H]- 312.11607 181.8
[M+NH4]+ 331.15717 189.7
[M+K]+ 352.08651 179.4
[M+H-H2O]+ 296.12061 166.7
[M+HCOO]- 358.12155 185.6
[M+CH3COO]- 372.13720 184.4
[M+Na-2H]- 334.09802 175.7
[M]+ 313.12280 171.5
[M]- 313.12390 171.5
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

No patent data available for this compound.