CID 22240172

Evt-101 free base

Structural Information

Molecular Formula
C16H13F3N4
SMILES
CC1=NC=CN1CC2=NN=CC(=C2)C3=CC(=C(C=C3)F)C(F)F
InChI
InChI=1S/C16H13F3N4/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19/h2-8,16H,9H2,1H3
InChIKey
BOVUHBFXPNLTKF-UHFFFAOYSA-N
Compound name
5-[3-(difluoromethyl)-4-fluorophenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

459
Patents

318.10922 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11650 170.7
[M+Na]+ 341.09844 181.3
[M-H]- 317.10194 172.1
[M+NH4]+ 336.14304 181.4
[M+K]+ 357.07238 174.2
[M+H-H2O]+ 301.10648 157.0
[M+HCOO]- 363.10742 186.8
[M+CH3COO]- 377.12307 180.7
[M+Na-2H]- 339.08389 171.3
[M]+ 318.10867 168.6
[M]- 318.10977 168.6
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