CID 6602240

63868-29-1

Structural Information

Molecular Formula
C19H27NO
SMILES
CCCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C19H27NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h6-7,13,16,18,21H,2-5,8-12H2,1H3/t16-,18+,19+/m0/s1
InChIKey
PESYYDZDKMYKDO-QXAKKESOSA-N
Compound name
(1R,9R,10R)-17-propyl-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

1
Patents

285.20926 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 170.7
[M+Na]+ 308.19848 174.8
[M-H]- 284.20198 172.5
[M+NH4]+ 303.24308 188.8
[M+K]+ 324.17242 169.0
[M+H-H2O]+ 268.20652 161.5
[M+HCOO]- 330.20746 180.3
[M+CH3COO]- 344.22311 179.1
[M+Na-2H]- 306.18393 174.3
[M]+ 285.20871 163.9
[M]- 285.20981 163.9
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

patents stripe