CID 134304734

Zagociguat

Structural Information

Molecular Formula
C16H10F4N6
SMILES
C1=CC=C(C(=C1)CC2=NC(=CN3C2=NC=C3)C4=NNC(=N4)C(F)(F)F)F
InChI
InChI=1S/C16H10F4N6/c17-10-4-2-1-3-9(10)7-11-14-21-5-6-26(14)8-12(22-11)13-23-15(25-24-13)16(18,19)20/h1-6,8H,7H2,(H,23,24,25)
InChIKey
GTKNNCQKFKGSHR-UHFFFAOYSA-N
Compound name
8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

57
Patents

362.0903 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.097576 179.4
[M+Na]+ 385.079518 192.4
[M-H]- 361.083024 178.3
[M+NH4]+ 380.124123 187.9
[M+K]+ 401.053458 183.3
[M+H-H2O]+ 345.087560 165.4
[M+HCOO]- 407.088501 191.6
[M+CH3COO]- 421.104151 188.2
[M+Na-2H]- 383.064966 181.3
[M]+ 362.08975142 176.9
[M]- 362.09084858 176.9
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