CID 479105

2h,3h-dihydro-5-(2,4-diaminopyrimidin-5-ylmethyl)-6,7-dimethoxybenzofuran

Structural Information

Molecular Formula
C15H18N4O3
SMILES
COC1=C(C=C2CCOC2=C1OC)CC3=CN=C(N=C3N)N
InChI
InChI=1S/C15H18N4O3/c1-20-11-9(6-10-7-18-15(17)19-14(10)16)5-8-3-4-22-12(8)13(11)21-2/h5,7H,3-4,6H2,1-2H3,(H4,16,17,18,19)
InChIKey
QSZYGEYQGRZMNR-UHFFFAOYSA-N
Compound name
5-[(6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.13788 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14516 170.2
[M+Na]+ 325.12710 179.3
[M-H]- 301.13060 175.9
[M+NH4]+ 320.17170 183.5
[M+K]+ 341.10104 176.5
[M+H-H2O]+ 285.13514 161.3
[M+HCOO]- 347.13608 191.1
[M+CH3COO]- 361.15173 209.6
[M+Na-2H]- 323.11255 173.3
[M]+ 302.13733 172.4
[M]- 302.13843 172.4
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.