CID 41524

55687-76-8

Structural Information

Molecular Formula
C15H18N4O3
SMILES
CC(=O)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C15H18N4O3/c1-8(20)13-11(21-2)5-9(6-12(13)22-3)4-10-7-18-15(17)19-14(10)16/h5-7H,4H2,1-3H3,(H4,16,17,18,19)
InChIKey
RYAPRJDMWXYXKI-UHFFFAOYSA-N
Compound name
1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

302.13788 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14516 171.8
[M+Na]+ 325.12710 180.6
[M-H]- 301.13060 176.1
[M+NH4]+ 320.17170 183.6
[M+K]+ 341.10104 177.1
[M+H-H2O]+ 285.13514 162.4
[M+HCOO]- 347.13608 193.7
[M+CH3COO]- 361.15173 211.8
[M+Na-2H]- 323.11255 173.4
[M]+ 302.13733 173.8
[M]- 302.13843 173.8
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

patents stripe