CID 3063239

100181-51-9

Structural Information

Molecular Formula
C19H24N2O2
SMILES
C[C@@H]1CC2[C@@H](CC3=CN(C4=CC=CC2=C34)COC(=O)C)N(C1)C
InChI
InChI=1S/C19H24N2O2/c1-12-7-16-15-5-4-6-17-19(15)14(8-18(16)20(3)9-12)10-21(17)11-23-13(2)22/h4-6,10,12,16,18H,7-9,11H2,1-3H3/t12-,16?,18-/m1/s1
InChIKey
QXDQIHOMVMYLBU-VALIOXDKSA-N
Compound name
[(6aR,9R)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 176.6
[M+Na]+ 335.17300 184.6
[M-H]- 311.17650 179.2
[M+NH4]+ 330.21760 194.1
[M+K]+ 351.14694 179.6
[M+H-H2O]+ 295.18104 168.2
[M+HCOO]- 357.18198 190.2
[M+CH3COO]- 371.19763 186.7
[M+Na-2H]- 333.15845 178.0
[M]+ 312.18323 178.7
[M]- 312.18433 178.7
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.