CID 24836810

2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol

Structural Information

Molecular Formula
C19H16F3N3O3S
SMILES
C1CN2C(=NC=C2C3=CC=CC=C3)CN1C(=O)C4=CC=C(S4)C(C(F)(F)F)(O)O
InChI
InChI=1S/C19H16F3N3O3S/c20-19(21,22)18(27,28)15-7-6-14(29-15)17(26)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10,27-28H,8-9,11H2
InChIKey
OFBFUNBBOQCNFX-UHFFFAOYSA-N
Compound name
(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-[5-(2,2,2-trifluoro-1,1-dihydroxyethyl)thiophen-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6
Patents

423.08646 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09374 194.0
[M+Na]+ 446.07568 202.6
[M-H]- 422.07918 195.8
[M+NH4]+ 441.12028 203.8
[M+K]+ 462.04962 196.6
[M+H-H2O]+ 406.08372 184.8
[M+HCOO]- 468.08466 200.1
[M+CH3COO]- 482.10031 201.7
[M+Na-2H]- 444.06113 193.0
[M]+ 423.08591 192.2
[M]- 423.08701 192.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe