CID 196968

199864-87-4

Structural Information

Molecular Formula
C17H16FN3
SMILES
CC(C)C1=NC(=NC(=C1)C2=CC=C(C3=CC=CC=C32)F)N
InChI
InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
InChIKey
ZZZQXCUPAJFVBN-UHFFFAOYSA-N
Compound name
4-(4-fluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

40
References

84
Patents

281.1328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14008 166.8
[M+Na]+ 304.12202 176.2
[M-H]- 280.12552 170.4
[M+NH4]+ 299.16662 180.8
[M+K]+ 320.09596 169.9
[M+H-H2O]+ 264.13006 156.5
[M+HCOO]- 326.13100 185.5
[M+CH3COO]- 340.14665 177.6
[M+Na-2H]- 302.10747 171.1
[M]+ 281.13225 164.9
[M]- 281.13335 164.9
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