CID 6602235

63868-21-3

Structural Information

Molecular Formula
C26H33NO
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCCCC5=CC=CC=C5
InChI
InChI=1S/C26H33NO/c28-22-13-12-21-18-25-23-11-4-6-14-26(23,24(21)19-22)15-17-27(25)16-7-5-10-20-8-2-1-3-9-20/h1-3,8-9,12-13,19,23,25,28H,4-7,10-11,14-18H2/t23-,25+,26+/m0/s1
InChIKey
QUNVVDPMJZSHRD-SKBVVQJISA-N
Compound name
(1R,9R,10R)-17-(4-phenylbutyl)-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

375.25623 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.26351 195.6
[M+Na]+ 398.24545 197.6
[M-H]- 374.24895 199.4
[M+NH4]+ 393.29005 209.0
[M+K]+ 414.21939 189.8
[M+H-H2O]+ 358.25349 183.2
[M+HCOO]- 420.25443 203.9
[M+CH3COO]- 434.27008 201.6
[M+Na-2H]- 396.23090 197.3
[M]+ 375.25568 188.1
[M]- 375.25678 188.1
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.