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 180.7
[M+Na]+ 347.12786 196.3
[M+NH4]+ 342.17246 188.0
[M+K]+ 363.10180 191.7
[M-H]- 323.13136 193.5
[M+Na-2H]- 345.11331 191.8
[M]+ 324.13809 187.6
[M]- 324.13919 187.6
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