CID 108752

55687-57-5

Structural Information

Molecular Formula
C14H17N5O3
SMILES
COC1=CC(=CC(=C1C(=O)N)OC)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C14H17N5O3/c1-21-9-4-7(5-10(22-2)11(9)13(16)20)3-8-6-18-14(17)19-12(8)15/h4-6H,3H2,1-2H3,(H2,16,20)(H4,15,17,18,19)
InChIKey
LPLBKXARLUPNDA-UHFFFAOYSA-N
Compound name
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.13315 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14043 171.3
[M+Na]+ 326.12237 179.6
[M-H]- 302.12587 175.2
[M+NH4]+ 321.16697 182.4
[M+K]+ 342.09631 176.1
[M+H-H2O]+ 286.13041 161.7
[M+HCOO]- 348.13135 193.9
[M+CH3COO]- 362.14700 213.8
[M+Na-2H]- 324.10782 172.9
[M]+ 303.13260 171.2
[M]- 303.13370 171.2
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

patents stripe