CID 3087268

113702-05-9

Structural Information

Molecular Formula
C20H28N2O
SMILES
CC(C)(C)N1C=C2C[C@@H]3C(C[C@H](CN3C)CO)C4=C2C1=CC=C4
InChI
InChI=1S/C20H28N2O/c1-20(2,3)22-11-14-9-18-16(8-13(12-23)10-21(18)4)15-6-5-7-17(22)19(14)15/h5-7,11,13,16,18,23H,8-10,12H2,1-4H3/t13-,16?,18-/m1/s1
InChIKey
OHGWVWFNVFKRID-DQYPLQBXSA-N
Compound name
[(6aR,9R)-4-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

312.22015 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.227426 181.7
[M+Na]+ 335.209368 189.5
[M-H]- 311.212874 182.9
[M+NH4]+ 330.253973 198.9
[M+K]+ 351.183308 183.4
[M+H-H2O]+ 295.217410 174.1
[M+HCOO]- 357.218351 192.4
[M+CH3COO]- 371.234001 191.0
[M+Na-2H]- 333.194816 184.0
[M]+ 312.21960142 181.7
[M]- 312.22069858 181.7
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

patents stripe