CID 131752475

2,9-dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9ci

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CN1C(CC2=CC=C(C=C2)N(C(CC3=CC=C1C=C3)O)C)O
InChI
InChI=1S/C18H22N2O2/c1-19-15-7-3-14(4-8-15)12-18(22)20(2)16-9-5-13(6-10-16)11-17(19)21/h3-10,17-18,21-22H,11-12H2,1-2H3
InChIKey
ZKYBZOKMKHPBAJ-UHFFFAOYSA-N
Compound name
2,9-dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene-3,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 183.0
[M+Na]+ 321.15734 182.0
[M-H]- 297.16084 159.8
[M+NH4]+ 316.20194 192.0
[M+K]+ 337.13128 183.3
[M+H-H2O]+ 281.16538 185.0
[M+HCOO]- 343.16632 179.1
[M+CH3COO]- 357.18197 183.0
[M+Na-2H]- 319.14279 189.5
[M]+ 298.16757 180.3
[M]- 298.16867 180.3
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.