CID 139597360

Ns00002603

Structural Information

Molecular Formula
C15H19NO
SMILES
C1CC[C@@]23CN[C@@H]([C@H]2C1)CC4=C3C=C(C=C4)O
InChI
InChI=1S/C15H19NO/c17-11-5-4-10-7-14-12-3-1-2-6-15(12,9-16-14)13(10)8-11/h4-5,8,12,14,16-17H,1-3,6-7,9H2/t12-,14-,15-/m1/s1
InChIKey
URGAUTXLLRGLSX-BPLDGKMQSA-N
Compound name
(1R,9R,10S)-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.153946 153.3
[M+Na]+ 252.135888 159.0
[M-H]- 228.139394 154.8
[M+NH4]+ 247.180493 174.9
[M+K]+ 268.109828 152.9
[M+H-H2O]+ 212.143930 146.1
[M+HCOO]- 274.144871 165.3
[M+CH3COO]- 288.160521 163.4
[M+Na-2H]- 250.121336 157.5
[M]+ 229.14612142 145.5
[M]- 229.14721858 145.5
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.