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 159.8
[M+Na]+ 290.10642 168.0
[M-H]- 266.10992 163.1
[M+NH4]+ 285.15102 174.0
[M+K]+ 306.08036 161.7
[M+H-H2O]+ 250.11446 148.9
[M+HCOO]- 312.11540 180.5
[M+CH3COO]- 326.13105 170.8
[M+Na-2H]- 288.09187 168.5
[M]+ 267.11665 158.2
[M]- 267.11775 158.2
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

patents stripe