CID 245137

6946-21-0

Structural Information

Molecular Formula
C25H18O2
SMILES
CC1=CC(=O)C2=C(O1)C3=CC=CC=C3C(C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C25H18O2/c1-16-15-22(26)24-19-12-6-5-11-18(19)23(17-9-3-2-4-10-17)20-13-7-8-14-21(20)25(24)27-16/h2-15,23H,1H3
InChIKey
RVWSLRHXXASKAQ-UHFFFAOYSA-N
Compound name
4-methyl-14-phenyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),4,8,10,12,15,17-octaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13068 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13796 185.2
[M+Na]+ 373.11990 195.1
[M-H]- 349.12340 196.9
[M+NH4]+ 368.16450 199.5
[M+K]+ 389.09384 193.2
[M+H-H2O]+ 333.12794 178.9
[M+HCOO]- 395.12888 203.9
[M+CH3COO]- 409.14453 196.5
[M+Na-2H]- 371.10535 192.1
[M]+ 350.13013 185.4
[M]- 350.13123 185.4
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.