CID 6602224

63868-00-8

Structural Information

Molecular Formula
C22H33NO
SMILES
CCC(C)CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C22H33NO/c1-3-16(2)9-12-23-13-11-22-10-5-4-6-19(22)21(23)14-17-7-8-18(24)15-20(17)22/h7-8,15-16,19,21,24H,3-6,9-14H2,1-2H3/t16?,19-,21+,22+/m0/s1
InChIKey
CFEGRBZNHIIJBK-FLWDNXTASA-N
Compound name
(1R,9R,10R)-17-(3-methylpentyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.25623 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.26351 184.2
[M+Na]+ 350.24545 186.5
[M-H]- 326.24895 185.3
[M+NH4]+ 345.29005 200.4
[M+K]+ 366.21939 180.6
[M+H-H2O]+ 310.25349 174.6
[M+HCOO]- 372.25443 191.6
[M+CH3COO]- 386.27008 191.1
[M+Na-2H]- 348.23090 184.9
[M]+ 327.25568 177.7
[M]- 327.25678 177.7
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.