CID 48700

10-methylaporphine

Structural Information

Molecular Formula
C18H19N
SMILES
CC1=CC2=C(C[C@H]3C4=C(CCN3C)C=CC=C24)C=C1
InChI
InChI=1S/C18H19N/c1-12-6-7-14-11-17-18-13(8-9-19(17)2)4-3-5-15(18)16(14)10-12/h3-7,10,17H,8-9,11H2,1-2H3/t17-/m0/s1
InChIKey
VUYKJMZDCAQKIO-KRWDZBQOSA-N
Compound name
(6aS)-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.15175 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 158.2
[M+Na]+ 272.14097 174.9
[M+NH4]+ 267.18557 170.0
[M+K]+ 288.11491 164.5
[M-H]- 248.14447 163.3
[M+Na-2H]- 270.12642 164.5
[M]+ 249.15120 162.4
[M]- 249.15230 162.4
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.