CID 361580

Nsc624761

Structural Information

Molecular Formula
C19H16O3
SMILES
COC1=C2C3=C(CCCC3=C(O2)C(=O)C4=CC=CC=C4)C=C1
InChI
InChI=1S/C19H16O3/c1-21-15-11-10-12-8-5-9-14-16(12)19(15)22-18(14)17(20)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKey
ORJJJSZKCLMUPK-UHFFFAOYSA-N
Compound name
(11-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.10995 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 165.7
[M+Na]+ 315.09917 174.3
[M-H]- 291.10267 174.6
[M+NH4]+ 310.14377 183.8
[M+K]+ 331.07311 171.1
[M+H-H2O]+ 275.10721 158.4
[M+HCOO]- 337.10815 186.1
[M+CH3COO]- 351.12380 178.4
[M+Na-2H]- 313.08462 171.0
[M]+ 292.10940 169.8
[M]- 292.11050 169.8
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.