CID 3064608

105115-80-8

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CN1C[C@@H](CC2([C@H]1CC3=CN(C4=CC=CC2=C34)CO)OC)CO
InChI
InChI=1S/C18H24N2O3/c1-19-8-12(10-21)7-18(23-2)14-4-3-5-15-17(14)13(6-16(18)19)9-20(15)11-22/h3-5,9,12,16,21-22H,6-8,10-11H2,1-2H3/t12-,16-,18?/m1/s1
InChIKey
HRGNTZRYCNRYJR-FOKFDTGNSA-N
Compound name
[(6aR,9R)-4-(hydroxymethyl)-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 176.0
[M+Na]+ 339.16790 184.6
[M-H]- 315.17140 176.3
[M+NH4]+ 334.21250 194.1
[M+K]+ 355.14184 179.1
[M+H-H2O]+ 299.17594 168.3
[M+HCOO]- 361.17688 187.9
[M+CH3COO]- 375.19253 185.6
[M+Na-2H]- 337.15335 179.7
[M]+ 316.17813 177.5
[M]- 316.17923 177.5
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.