CID 154699695

Ns00117439

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN1CCN2[C@H](C1)C3=CC=CC=C3CC4=C2C=C(C=C4)O
InChI
InChI=1S/C18H20N2O/c1-19-8-9-20-17-11-15(21)7-6-14(17)10-13-4-2-3-5-16(13)18(20)12-19/h2-7,11,18,21H,8-10,12H2,1H3/t18-/m1/s1
InChIKey
IXAPYQICIDTITB-GOSISDBHSA-N
Compound name
(7S)-5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 165.2
[M+Na]+ 303.14678 172.5
[M-H]- 279.15028 168.5
[M+NH4]+ 298.19138 180.4
[M+K]+ 319.12072 169.9
[M+H-H2O]+ 263.15482 157.7
[M+HCOO]- 325.15576 177.8
[M+CH3COO]- 339.17141 174.9
[M+Na-2H]- 301.13223 171.1
[M]+ 280.15701 159.6
[M]- 280.15811 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.