CID 167715

N-propylnorapomorphine

Structural Information

Molecular Formula
C19H21NO2
SMILES
CCCN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
InChI
InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
InChIKey
BTGAJCKRXPNBFI-OAHLLOKOSA-N
Compound name
(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

309
References

377
Patents

295.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 170.2
[M+Na]+ 318.14645 177.5
[M-H]- 294.14995 171.3
[M+NH4]+ 313.19105 186.4
[M+K]+ 334.12039 171.2
[M+H-H2O]+ 278.15449 162.1
[M+HCOO]- 340.15543 182.1
[M+CH3COO]- 354.17108 179.6
[M+Na-2H]- 316.13190 175.2
[M]+ 295.15668 168.8
[M]- 295.15778 168.8
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