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
2
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]+ 281.164836 165.2
[M+Na]+ 303.146778 172.5
[M-H]- 279.150284 168.5
[M+NH4]+ 298.191383 180.4
[M+K]+ 319.120718 169.9
[M+H-H2O]+ 263.154820 157.7
[M+HCOO]- 325.155761 177.8
[M+CH3COO]- 339.171411 174.9
[M+Na-2H]- 301.132226 171.1
[M]+ 280.15701142 159.6
[M]- 280.15810858 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.