CID 73951274

4-cyclopropyl-n-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine

Structural Information

Molecular Formula
C18H17FN4O
SMILES
CC1=NOC(=C1)C2=CN=C(N=C2C3CC3)NCC4=CC=C(C=C4)F
InChI
InChI=1S/C18H17FN4O/c1-11-8-16(24-23-11)15-10-21-18(22-17(15)13-4-5-13)20-9-12-2-6-14(19)7-3-12/h2-3,6-8,10,13H,4-5,9H2,1H3,(H,20,21,22)
InChIKey
NKWDZNXVWDEMSW-UHFFFAOYSA-N
Compound name
4-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.13864 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14592 177.1
[M+Na]+ 347.12786 188.0
[M-H]- 323.13136 186.2
[M+NH4]+ 342.17246 182.8
[M+K]+ 363.10180 181.6
[M+H-H2O]+ 307.13590 165.8
[M+HCOO]- 369.13684 198.1
[M+CH3COO]- 383.15249 187.6
[M+Na-2H]- 345.11331 180.0
[M]+ 324.13809 179.9
[M]- 324.13919 179.9
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