CID 2970099

303094-41-9

Structural Information

Molecular Formula
C18H15ClF2N4O
SMILES
C1C(NC2=NC=NN2C1C3=CC=C(C=C3)OC(F)F)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H15ClF2N4O/c19-13-5-1-11(2-6-13)15-9-16(25-18(24-15)22-10-23-25)12-3-7-14(8-4-12)26-17(20)21/h1-8,10,15-17H,9H2,(H,22,23,24)
InChIKey
QNJUYGJRLUZRPY-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-7-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.09024 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09752 184.1
[M+Na]+ 399.07946 192.9
[M-H]- 375.08296 185.2
[M+NH4]+ 394.12406 193.0
[M+K]+ 415.05340 184.3
[M+H-H2O]+ 359.08750 170.8
[M+HCOO]- 421.08844 191.3
[M+CH3COO]- 435.10409 191.9
[M+Na-2H]- 397.06491 184.1
[M]+ 376.08969 181.4
[M]- 376.09079 181.4
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

No patent data available for this compound.