CID 6086138

Ethyl 3-(1-(4-fluorophenyl)-4-isopropyl-2-phenylimidazol-5-yl)acrylate

Structural Information

Molecular Formula
C23H23FN2O2
SMILES
CCOC(=O)/C=C/C1=C(N=C(N1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C23H23FN2O2/c1-4-28-21(27)15-14-20-22(16(2)3)25-23(17-8-6-5-7-9-17)26(20)19-12-10-18(24)11-13-19/h5-16H,4H2,1-3H3/b15-14+
InChIKey
CYPPHOGCEHKEHQ-CCEZHUSRSA-N
Compound name
ethyl (E)-3-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylimidazol-4-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

378.17435 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.18163 192.6
[M+Na]+ 401.16357 200.1
[M-H]- 377.16707 198.7
[M+NH4]+ 396.20817 203.5
[M+K]+ 417.13751 193.8
[M+H-H2O]+ 361.17161 181.4
[M+HCOO]- 423.17255 211.1
[M+CH3COO]- 437.18820 219.9
[M+Na-2H]- 399.14902 189.7
[M]+ 378.17380 194.5
[M]- 378.17490 194.5
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