CID 5172

165806-51-9

Structural Information

Molecular Formula
C17H16FN5
SMILES
C1CC1CN2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F
InChI
InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)
InChIKey
DFEYXQGDDCDXJK-UHFFFAOYSA-N
Compound name
4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

75
Patents

309.13898 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14626 176.0
[M+Na]+ 332.12820 191.4
[M+NH4]+ 327.17280 183.1
[M+K]+ 348.10214 186.8
[M-H]- 308.13170 187.1
[M+Na-2H]- 330.11365 187.6
[M]+ 309.13843 182.4
[M]- 309.13953 182.4
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