CID 368992

Nsc640501

Structural Information

Molecular Formula
C20H19N3O2
SMILES
CC1CC2=C(O1)C=CC(=C2)C3=NC(=NC(=C3)C4=CC=C(C=C4)OC)N
InChI
InChI=1S/C20H19N3O2/c1-12-9-15-10-14(5-8-19(15)25-12)18-11-17(22-20(21)23-18)13-3-6-16(24-2)7-4-13/h3-8,10-12H,9H2,1-2H3,(H2,21,22,23)
InChIKey
HXUCSZDSZPHBEY-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14774 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 180.6
[M+Na]+ 356.13696 189.9
[M-H]- 332.14046 189.6
[M+NH4]+ 351.18156 192.7
[M+K]+ 372.11090 185.0
[M+H-H2O]+ 316.14500 170.5
[M+HCOO]- 378.14594 200.5
[M+CH3COO]- 392.16159 191.6
[M+Na-2H]- 354.12241 183.3
[M]+ 333.14719 182.0
[M]- 333.14829 182.0
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.