CID 31117

Naranol

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1CN(CC2C1(OC3=C(C2)C4=CC=CC=C4C=C3)O)C
InChI
InChI=1S/C18H21NO2/c1-12-10-19(2)11-14-9-16-15-6-4-3-5-13(15)7-8-17(16)21-18(12,14)20/h3-8,12,14,20H,9-11H2,1-2H3
InChIKey
RQYOELZDSAMKIU-UHFFFAOYSA-N
Compound name
13,15-dimethyl-11-oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8-pentaen-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

558
Patents

283.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 166.3
[M+Na]+ 306.146448 174.2
[M-H]- 282.149954 169.9
[M+NH4]+ 301.191053 184.0
[M+K]+ 322.120388 169.9
[M+H-H2O]+ 266.154490 157.6
[M+HCOO]- 328.155431 177.8
[M+CH3COO]- 342.171081 176.6
[M+Na-2H]- 304.131896 173.0
[M]+ 283.15668142 163.6
[M]- 283.15777858 163.6
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.