CID 6005

Apomorphine

Structural Information

Molecular Formula
C17H17NO2
SMILES
CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
InChI
InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
InChIKey
VMWNQDUVQKEIOC-CYBMUJFWSA-N
Compound name
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

10222
References

40425
Patents

267.12592 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 160.7
[M+Na]+ 290.11514 175.9
[M+NH4]+ 285.15974 170.8
[M+K]+ 306.08908 167.6
[M-H]- 266.11864 164.0
[M+Na-2H]- 288.10059 164.9
[M]+ 267.12537 164.0
[M]- 267.12647 164.0
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