CID 3047553

6-cyano-6-norfestuclavine

Structural Information

Molecular Formula
C16H17N3
SMILES
C[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C#N
InChI
InChI=1S/C16H17N3/c1-10-5-13-12-3-2-4-14-16(12)11(7-18-14)6-15(13)19(8-10)9-17/h2-4,7,10,13,15,18H,5-6,8H2,1H3/t10-,13?,15-/m1/s1
InChIKey
SYQUHRNOAYZARM-CCWWQKHMSA-N
Compound name
(6aR,9R)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 164.7
[M+Na]+ 274.13146 177.7
[M+NH4]+ 269.17606 170.9
[M+K]+ 290.10540 167.6
[M-H]- 250.13496 159.6
[M+Na-2H]- 272.11691 165.1
[M]+ 251.14169 164.3
[M]- 251.14279 164.3
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.