CID 46907042

Chembl1164461

Structural Information

Molecular Formula
C19H20N4O3
SMILES
CCC1=NC(=C(C(=N1)NCC2=CC=C(C=C2)OC)NC=O)C3=CC=CO3
InChI
InChI=1S/C19H20N4O3/c1-3-16-22-17(15-5-4-10-26-15)18(21-12-24)19(23-16)20-11-13-6-8-14(25-2)9-7-13/h4-10,12H,3,11H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKey
PQQFSBCJDLIRHJ-UHFFFAOYSA-N
Compound name
N-[2-ethyl-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

352.15353 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16081 183.4
[M+Na]+ 375.14275 190.9
[M-H]- 351.14625 191.8
[M+NH4]+ 370.18735 193.3
[M+K]+ 391.11669 187.0
[M+H-H2O]+ 335.15079 172.6
[M+HCOO]- 397.15173 207.4
[M+CH3COO]- 411.16738 218.4
[M+Na-2H]- 373.12820 187.4
[M]+ 352.15298 187.6
[M]- 352.15408 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

literature stripe

Patent stripe

No patent data available for this compound.