CID 479113

55687-53-1

Structural Information

Molecular Formula
C18H24N4O4
SMILES
CCOC1=CC(=CC(=C1C(=O)OCC)OCC)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C18H24N4O4/c1-4-24-13-8-11(7-12-10-21-18(20)22-16(12)19)9-14(25-5-2)15(13)17(23)26-6-3/h8-10H,4-7H2,1-3H3,(H4,19,20,21,22)
InChIKey
TUCQRQGMGRTVDU-UHFFFAOYSA-N
Compound name
ethyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

360.17975 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.18703 187.8
[M+Na]+ 383.16897 195.0
[M-H]- 359.17247 191.5
[M+NH4]+ 378.21357 197.1
[M+K]+ 399.14291 191.6
[M+H-H2O]+ 343.17701 177.5
[M+HCOO]- 405.17795 208.8
[M+CH3COO]- 419.19360 222.3
[M+Na-2H]- 381.15442 188.0
[M]+ 360.17920 192.1
[M]- 360.18030 192.1
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