CID 46907045

Chembl1163265

Structural Information

Molecular Formula
C18H18N4O3
SMILES
CN(CC1=CC=C(C=C1)OC)C2=NC=NC(=C2NC=O)C3=CC=CO3
InChI
InChI=1S/C18H18N4O3/c1-22(10-13-5-7-14(24-2)8-6-13)18-17(21-12-23)16(19-11-20-18)15-4-3-9-25-15/h3-9,11-12H,10H2,1-2H3,(H,21,23)
InChIKey
ZTBICGLIXRKXHG-UHFFFAOYSA-N
Compound name
N-[4-(furan-2-yl)-6-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-5-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.13788 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14516 178.7
[M+Na]+ 361.12710 185.8
[M-H]- 337.13060 188.4
[M+NH4]+ 356.17170 189.6
[M+K]+ 377.10104 183.6
[M+H-H2O]+ 321.13514 167.8
[M+HCOO]- 383.13608 203.6
[M+CH3COO]- 397.15173 217.3
[M+Na-2H]- 359.11255 183.2
[M]+ 338.13733 183.4
[M]- 338.13843 183.4
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.