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 166.2
[M-H]- 248.14447 161.8
[M+NH4]+ 267.18557 177.6
[M+K]+ 288.11491 160.2
[M+H-H2O]+ 232.14901 149.6
[M+HCOO]- 294.14995 173.2
[M+CH3COO]- 308.16560 169.4
[M+Na-2H]- 270.12642 165.0
[M]+ 249.15120 156.5
[M]- 249.15230 156.5
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.