CID 168157187

Schembl25369229

Structural Information

Molecular Formula
C18H13F4N5O2
SMILES
C=C(C(=O)N1CC(C1)N2C3=NC=CN=C3N(C2=O)C4=CC=C(C=C4)C(F)(F)F)F
InChI
InChI=1S/C18H13F4N5O2/c1-10(19)16(28)25-8-13(9-25)27-15-14(23-6-7-24-15)26(17(27)29)12-4-2-11(3-5-12)18(20,21)22/h2-7,13H,1,8-9H2
InChIKey
SODJZYMRWMUOMC-UHFFFAOYSA-N
Compound name
1-[1-(2-fluoroprop-2-enoyl)azetidin-3-yl]-3-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

407.10052 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.10780 196.6
[M+Na]+ 430.08974 206.7
[M-H]- 406.09324 196.7
[M+NH4]+ 425.13434 197.1
[M+K]+ 446.06368 202.2
[M+H-H2O]+ 390.09778 177.5
[M+HCOO]- 452.09872 205.7
[M+CH3COO]- 466.11437 224.5
[M+Na-2H]- 428.07519 194.9
[M]+ 407.09997 202.4
[M]- 407.10107 202.4
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

patents stripe