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
2
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

literature stripe

Patent stripe

patents stripe