CID 5496989

(6,7-difluoro-quinazolin-4-yl)-(1-methyl-2,2-diphenyl-ethyl)-amine

Structural Information

Molecular Formula
C23H19F2N3
SMILES
C[C@@H](C(C1=CC=CC=C1)C2=CC=CC=C2)NC3=NC=NC4=CC(=C(C=C43)F)F
InChI
InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1
InChIKey
WVGZKPGUHOZIJQ-HNNXBMFYSA-N
Compound name
N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

375.1547 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16198 190.0
[M+Na]+ 398.14392 196.5
[M-H]- 374.14742 194.6
[M+NH4]+ 393.18852 198.9
[M+K]+ 414.11786 188.5
[M+H-H2O]+ 358.15196 176.3
[M+HCOO]- 420.15290 206.1
[M+CH3COO]- 434.16855 198.0
[M+Na-2H]- 396.12937 193.6
[M]+ 375.15415 186.2
[M]- 375.15525 186.2
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