CID 5164

Sb220025

Structural Information

Molecular Formula
C18H19FN6
SMILES
C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
InChIKey
VSPFURGQAYMVAN-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

891
Patents

338.16553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17281 180.7
[M+Na]+ 361.15475 187.6
[M-H]- 337.15825 183.9
[M+NH4]+ 356.19935 187.2
[M+K]+ 377.12869 178.8
[M+H-H2O]+ 321.16279 167.0
[M+HCOO]- 383.16373 193.8
[M+CH3COO]- 397.17938 188.1
[M+Na-2H]- 359.14020 181.1
[M]+ 338.16498 172.4
[M]- 338.16608 172.4
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