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

577
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.