CID 6478856

(z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C19H16FNO3
SMILES
CN1C=CC=C1/C(=C/C(=O)C2=CC=C(O2)CC3=CC=C(C=C3)F)/O
InChI
InChI=1S/C19H16FNO3/c1-21-10-2-3-16(21)17(22)12-18(23)19-9-8-15(24-19)11-13-4-6-14(20)7-5-13/h2-10,12,22H,11H2,1H3/b17-12-
InChIKey
RBDCSGVTHZOTKP-ATVHPVEESA-N
Compound name
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

325.11142 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11870 174.3
[M+Na]+ 348.10064 183.0
[M-H]- 324.10414 182.1
[M+NH4]+ 343.14524 188.5
[M+K]+ 364.07458 178.9
[M+H-H2O]+ 308.10868 166.1
[M+HCOO]- 370.10962 195.6
[M+CH3COO]- 384.12527 204.5
[M+Na-2H]- 346.08609 172.9
[M]+ 325.11087 176.7
[M]- 325.11197 176.7
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

patents stripe