CID 206155

Brn 0840917

Structural Information

Molecular Formula
C21H23NO3
SMILES
COC1=C(C2=C(C=C1)C(C3=CC=CC=C3C=C2)O)CN4CCOCC4
InChI
InChI=1S/C21H23NO3/c1-24-20-9-8-18-17(19(20)14-22-10-12-25-13-11-22)7-6-15-4-2-3-5-16(15)21(18)23/h2-9,21,23H,10-14H2,1H3
InChIKey
FFWHUABMHMTJDI-UHFFFAOYSA-N
Compound name
6-methoxy-7-(morpholin-4-ylmethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 179.5
[M+Na]+ 360.15702 185.0
[M-H]- 336.16052 186.4
[M+NH4]+ 355.20162 191.1
[M+K]+ 376.13096 185.0
[M+H-H2O]+ 320.16506 171.8
[M+HCOO]- 382.16600 193.3
[M+CH3COO]- 396.18165 188.7
[M+Na-2H]- 358.14247 183.8
[M]+ 337.16725 176.2
[M]- 337.16835 176.2
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.