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]+ 250.159026 158.2
[M+Na]+ 272.140968 166.2
[M-H]- 248.144474 161.8
[M+NH4]+ 267.185573 177.6
[M+K]+ 288.114908 160.2
[M+H-H2O]+ 232.149010 149.6
[M+HCOO]- 294.149951 173.2
[M+CH3COO]- 308.165601 169.4
[M+Na-2H]- 270.126416 165.0
[M]+ 249.15120142 156.5
[M]- 249.15229858 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.