CID 110913

Nih 7957

Structural Information

Molecular Formula
C18H25NO
SMILES
CCC12CCN(C(C1C)CC3=C2C=C(C=C3)O)CC=C
InChI
InChI=1S/C18H25NO/c1-4-9-19-10-8-18(5-2)13(3)17(19)11-14-6-7-15(20)12-16(14)18/h4,6-7,12-13,17,20H,1,5,8-11H2,2-3H3
InChIKey
DVLZNYFUUUDCOL-UHFFFAOYSA-N
Compound name
1-ethyl-13-methyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.1936 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.200876 167.0
[M+Na]+ 294.182818 174.0
[M-H]- 270.186324 167.3
[M+NH4]+ 289.227423 186.4
[M+K]+ 310.156758 168.2
[M+H-H2O]+ 254.190860 159.9
[M+HCOO]- 316.191801 179.4
[M+CH3COO]- 330.207451 201.6
[M+Na-2H]- 292.168266 171.2
[M]+ 271.19305142 164.7
[M]- 271.19414858 164.7
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