CID 11247522

Ngd-8243

Structural Information

Molecular Formula
C21H12F6N4
SMILES
C1=CC(=C(N=C1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)
InChIKey
VTANGSDRFFLTSQ-UHFFFAOYSA-N
Compound name
N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

66
Patents

434.09662 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.10390 202.8
[M+Na]+ 457.08584 213.1
[M-H]- 433.08934 202.1
[M+NH4]+ 452.13044 208.5
[M+K]+ 473.05978 203.1
[M+H-H2O]+ 417.09388 185.7
[M+HCOO]- 479.09482 212.4
[M+CH3COO]- 493.11047 209.1
[M+Na-2H]- 455.07129 207.9
[M]+ 434.09607 194.9
[M]- 434.09717 194.9
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