CID 5494852

5-[(3,4,5-trimethoxyphenyl)methyl]-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C16H19N5O3
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=CNC3=NC(=NC(=C23)N)N
InChI
InChI=1S/C16H19N5O3/c1-22-10-5-8(6-11(23-2)13(10)24-3)4-9-7-19-15-12(9)14(17)20-16(18)21-15/h5-7H,4H2,1-3H3,(H5,17,18,19,20,21)
InChIKey
NGPNVGMVBCAYPQ-UHFFFAOYSA-N
Compound name
5-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.1488 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15608 177.0
[M+Na]+ 352.13802 187.8
[M-H]- 328.14152 180.5
[M+NH4]+ 347.18262 188.9
[M+K]+ 368.11196 182.6
[M+H-H2O]+ 312.14606 167.7
[M+HCOO]- 374.14700 198.5
[M+CH3COO]- 388.16265 213.8
[M+Na-2H]- 350.12347 179.9
[M]+ 329.14825 180.8
[M]- 329.14935 180.8
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

No patent data available for this compound.