CID 91617738

Garryine hydrochloride

Structural Information

Molecular Formula
C22H33NO2
SMILES
C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3CC[C@H](C4)C(=C)[C@@H]5O)CN6[C@@H]2OCC6
InChI
InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15-,16-,17-,18+,19-,20-,21-,22+/m1/s1
InChIKey
IVNWJNHFVISYHC-KULDPHIESA-N
Compound name
(1R,2S,5R,7S,8R,11S,12R,13R)-12-methyl-6-methylidene-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.25113 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.25841 189.1
[M+Na]+ 366.24035 196.1
[M+NH4]+ 361.28495 203.4
[M+K]+ 382.21429 186.9
[M-H]- 342.24385 192.1
[M+Na-2H]- 364.22580 187.8
[M]+ 343.25058 191.2
[M]- 343.25168 191.2
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.