CID 46907043

Chembl1164659

Structural Information

Molecular Formula
C18H18N4O4
SMILES
COC1=CC=C(C=C1)CNC2=NC(=NC(=C2NC=O)C3=CC=CO3)OC
InChI
InChI=1S/C18H18N4O4/c1-24-13-7-5-12(6-8-13)10-19-17-16(20-11-23)15(14-4-3-9-26-14)21-18(22-17)25-2/h3-9,11H,10H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKey
YHZHKWKZMNBNAO-UHFFFAOYSA-N
Compound name
N-[4-(furan-2-yl)-2-methoxy-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.1328 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14008 181.2
[M+Na]+ 377.12202 188.8
[M-H]- 353.12552 189.8
[M+NH4]+ 372.16662 190.9
[M+K]+ 393.09596 185.9
[M+H-H2O]+ 337.13006 170.4
[M+HCOO]- 399.13100 205.6
[M+CH3COO]- 413.14665 217.6
[M+Na-2H]- 375.10747 185.9
[M]+ 354.13225 186.5
[M]- 354.13335 186.5
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.