CID 48698

10-chloroaporphine hydrochloride

Structural Information

Molecular Formula
C17H16ClN
SMILES
CN1CCC2=C3[C@@H]1CC4=C(C3=CC=C2)C=C(C=C4)Cl
InChI
InChI=1S/C17H16ClN/c1-19-8-7-11-3-2-4-14-15-10-13(18)6-5-12(15)9-16(19)17(11)14/h2-6,10,16H,7-9H2,1H3/t16-/m0/s1
InChIKey
DFYATLXZKUPSLH-INIZCTEOSA-N
Compound name
(6aS)-10-chloro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.09714 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10442 160.5
[M+Na]+ 292.08636 169.8
[M-H]- 268.08986 164.0
[M+NH4]+ 287.13096 180.0
[M+K]+ 308.06030 162.6
[M+H-H2O]+ 252.09440 152.6
[M+HCOO]- 314.09534 171.3
[M+CH3COO]- 328.11099 171.7
[M+Na-2H]- 290.07181 167.3
[M]+ 269.09659 160.8
[M]- 269.09769 160.8
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

No patent data available for this compound.