CID 5486036

63690-32-4

Structural Information

Molecular Formula
C17H23NO2
SMILES
CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C(=C(C=C4)O)O
InChI
InChI=1S/C17H23NO2/c1-18-9-8-17-7-3-2-4-12(17)13(18)10-11-5-6-14(19)16(20)15(11)17/h5-6,12-13,19-20H,2-4,7-10H2,1H3/t12-,13+,17+/m0/s1
InChIKey
VCPXRQXUZJVACG-OGHNNQOOSA-N
Compound name
(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.4
[M+Na]+ 296.16210 170.8
[M-H]- 272.16560 166.6
[M+NH4]+ 291.20670 183.6
[M+K]+ 312.13604 165.4
[M+H-H2O]+ 256.17014 157.2
[M+HCOO]- 318.17108 174.3
[M+CH3COO]- 332.18673 174.2
[M+Na-2H]- 294.14755 169.2
[M]+ 273.17233 158.2
[M]- 273.17343 158.2
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