CID 25392188

949973-22-2

Structural Information

Molecular Formula
C20H17F3N6O
SMILES
CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CCC(=O)NC3=CC4=CC=CC=C4N=C3
InChI
InChI=1S/C20H17F3N6O/c1-11-15(12(2)29-19(25-11)27-18(28-29)20(21,22)23)7-8-17(30)26-14-9-13-5-3-4-6-16(13)24-10-14/h3-6,9-10H,7-8H2,1-2H3,(H,26,30)
InChIKey
QZNAYFPVJRCTMY-UHFFFAOYSA-N
Compound name
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-quinolin-3-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1416 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.14888 201.1
[M+Na]+ 437.13082 212.7
[M-H]- 413.13432 200.8
[M+NH4]+ 432.17542 208.6
[M+K]+ 453.10476 204.2
[M+H-H2O]+ 397.13886 187.4
[M+HCOO]- 459.13980 213.5
[M+CH3COO]- 473.15545 208.8
[M+Na-2H]- 435.11627 204.8
[M]+ 414.14105 202.1
[M]- 414.14215 202.1
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

No patent data available for this compound.