CID 509549

Chembl567666

Structural Information

Molecular Formula
C16H15FN4
SMILES
C1=CC(=CC=C1CCNC2=NC=NC3=C2C=C(C=C3)N)F
InChI
InChI=1S/C16H15FN4/c17-12-3-1-11(2-4-12)7-8-19-16-14-9-13(18)5-6-15(14)20-10-21-16/h1-6,9-10H,7-8,18H2,(H,19,20,21)
InChIKey
LYQLOPPHBWNXFN-UHFFFAOYSA-N
Compound name
4-N-[2-(4-fluorophenyl)ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.12808 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13536 163.8
[M+Na]+ 305.11730 172.3
[M-H]- 281.12080 167.1
[M+NH4]+ 300.16190 177.2
[M+K]+ 321.09124 165.6
[M+H-H2O]+ 265.12534 153.1
[M+HCOO]- 327.12628 185.0
[M+CH3COO]- 341.14193 174.4
[M+Na-2H]- 303.10275 171.4
[M]+ 282.12753 161.2
[M]- 282.12863 161.2
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

No patent data available for this compound.