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

553
Patents

283.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 166.3
[M+Na]+ 306.14645 174.2
[M-H]- 282.14995 169.9
[M+NH4]+ 301.19105 184.0
[M+K]+ 322.12039 169.9
[M+H-H2O]+ 266.15449 157.6
[M+HCOO]- 328.15543 177.8
[M+CH3COO]- 342.17108 176.6
[M+Na-2H]- 304.13190 173.0
[M]+ 283.15668 163.6
[M]- 283.15778 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.