CID 44224200

Chembl1164359

Structural Information

Molecular Formula
C17H15FN4O3
SMILES
COC1=CC=C(C=C1)CNC2=NC(=NC(=C2NC=O)C3=CC=CO3)F
InChI
InChI=1S/C17H15FN4O3/c1-24-12-6-4-11(5-7-12)9-19-16-15(20-10-23)14(21-17(18)22-16)13-3-2-8-25-13/h2-8,10H,9H2,1H3,(H,20,23)(H,19,21,22)
InChIKey
MXZIWIAAVBUXPL-UHFFFAOYSA-N
Compound name
N-[2-fluoro-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

342.11282 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12010 177.0
[M+Na]+ 365.10204 185.4
[M-H]- 341.10554 184.4
[M+NH4]+ 360.14664 187.3
[M+K]+ 381.07598 181.5
[M+H-H2O]+ 325.11008 165.6
[M+HCOO]- 387.11102 200.6
[M+CH3COO]- 401.12667 215.1
[M+Na-2H]- 363.08749 181.4
[M]+ 342.11227 179.6
[M]- 342.11337 179.6
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

No patent data available for this compound.