CID 5486045

63690-41-5

Structural Information

Molecular Formula
C22H33NO
SMILES
CC(C)CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC
InChI
InChI=1S/C22H33NO/c1-16(2)9-12-23-13-11-22-10-5-4-6-19(22)21(23)14-17-7-8-18(24-3)15-20(17)22/h7-8,15-16,19,21H,4-6,9-14H2,1-3H3/t19-,21+,22+/m0/s1
InChIKey
IOQYTQYZQQLZSA-KSEOMHKRSA-N
Compound name
(1R,9R,10R)-4-methoxy-17-(3-methylbutyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.25623 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.26351 184.1
[M+Na]+ 350.24545 186.8
[M-H]- 326.24895 186.6
[M+NH4]+ 345.29005 200.9
[M+K]+ 366.21939 181.7
[M+H-H2O]+ 310.25349 174.0
[M+HCOO]- 372.25443 193.0
[M+CH3COO]- 386.27008 191.6
[M+Na-2H]- 348.23090 185.2
[M]+ 327.25568 179.3
[M]- 327.25678 179.3
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.