CID 16076984

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

Structural Information

Molecular Formula
C17H21N5O2
SMILES
CC(CC1=CNC2=NC(=NC(=C12)N)N)C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C17H21N5O2/c1-9(12-7-11(23-2)4-5-13(12)24-3)6-10-8-20-16-14(10)15(18)21-17(19)22-16/h4-5,7-9H,6H2,1-3H3,(H5,18,19,20,21,22)
InChIKey
KZJKFGMACRXNBE-UHFFFAOYSA-N
Compound name
5-[2-(2,5-dimethoxyphenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.16953 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17681 178.3
[M+Na]+ 350.15875 187.6
[M-H]- 326.16225 181.3
[M+NH4]+ 345.20335 190.0
[M+K]+ 366.13269 182.1
[M+H-H2O]+ 310.16679 168.9
[M+HCOO]- 372.16773 198.3
[M+CH3COO]- 386.18338 214.0
[M+Na-2H]- 348.14420 180.2
[M]+ 327.16898 180.1
[M]- 327.17008 180.1
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.