CID 5272810

6-chloro-2-[4-(4,5-dihydrooxazol-2-yl)phenyl]-3-methoxy-chromen-4-one

Structural Information

Molecular Formula
C19H14ClNO4
SMILES
COC1=C(OC2=C(C1=O)C=C(C=C2)Cl)C3=CC=C(C=C3)C4=NCCO4
InChI
InChI=1S/C19H14ClNO4/c1-23-18-16(22)14-10-13(20)6-7-15(14)25-17(18)11-2-4-12(5-3-11)19-21-8-9-24-19/h2-7,10H,8-9H2,1H3
InChIKey
AXTNOIDQSFXNQD-UHFFFAOYSA-N
Compound name
6-chloro-2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.06113 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06841 181.1
[M+Na]+ 378.05035 192.7
[M-H]- 354.05385 192.7
[M+NH4]+ 373.09495 193.7
[M+K]+ 394.02429 189.1
[M+H-H2O]+ 338.05839 172.7
[M+HCOO]- 400.05933 197.1
[M+CH3COO]- 414.07498 193.5
[M+Na-2H]- 376.03580 184.7
[M]+ 355.06058 188.3
[M]- 355.06168 188.3
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.