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

2
Patents

285.20926 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.216536 170.7
[M+Na]+ 308.198478 174.8
[M-H]- 284.201984 172.5
[M+NH4]+ 303.243083 188.8
[M+K]+ 324.172418 169.0
[M+H-H2O]+ 268.206520 161.5
[M+HCOO]- 330.207461 180.3
[M+CH3COO]- 344.223111 179.1
[M+Na-2H]- 306.183926 174.3
[M]+ 285.20871142 163.9
[M]- 285.20980858 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