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]+ 299.175396 183.0
[M+Na]+ 321.157338 182.0
[M-H]- 297.160844 159.8
[M+NH4]+ 316.201943 192.0
[M+K]+ 337.131278 183.3
[M+H-H2O]+ 281.165380 185.0
[M+HCOO]- 343.166321 179.1
[M+CH3COO]- 357.181971 183.0
[M+Na-2H]- 319.142786 189.5
[M]+ 298.16757142 180.3
[M]- 298.16866858 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.