CID 180256

4-quinazolinamine, 8-fluoro-n-(2-phenylethyl)-

Structural Information

Molecular Formula
C16H14FN3
SMILES
C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=CC=C3F
InChI
InChI=1S/C16H14FN3/c17-14-8-4-7-13-15(14)19-11-20-16(13)18-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,18,19,20)
InChIKey
KQOOIHUDTFMHLA-UHFFFAOYSA-N
Compound name
8-fluoro-N-(2-phenylethyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1172 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12448 160.6
[M+Na]+ 290.10642 176.0
[M+NH4]+ 285.15102 169.1
[M+K]+ 306.08036 166.6
[M-H]- 266.10992 164.8
[M+Na-2H]- 288.09187 170.6
[M]+ 267.11665 164.0
[M]- 267.11775 164.0
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.