CID 24812719

3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1h)-one

Structural Information

Molecular Formula
C21H15F3N4O
SMILES
CC1=C(C(=O)N(C=C1)C2=CC=CC(=C2)C(F)(F)F)C3=CC4=CN=C(N=C4C=C3)N
InChI
InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
InChIKey
HXUZQEYFKAZBPX-UHFFFAOYSA-N
Compound name
3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

396.11978 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.12706 198.2
[M+Na]+ 419.10900 209.7
[M-H]- 395.11250 201.5
[M+NH4]+ 414.15360 205.7
[M+K]+ 435.08294 200.6
[M+H-H2O]+ 379.11704 183.7
[M+HCOO]- 441.11798 212.4
[M+CH3COO]- 455.13363 206.5
[M+Na-2H]- 417.09445 201.7
[M]+ 396.11923 194.8
[M]- 396.12033 194.8
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