CID 16062097

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

Structural Information

Molecular Formula
C18H23N5O3
SMILES
CC(CC1=CNC2=NC(=NC(=C12)N)N)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C18H23N5O3/c1-9(10-6-12(24-2)15(26-4)13(7-10)25-3)5-11-8-21-17-14(11)16(19)22-18(20)23-17/h6-9H,5H2,1-4H3,(H5,19,20,21,22,23)
InChIKey
NQGFMNNOHVGDFO-UHFFFAOYSA-N
Compound name
5-[2-(3,4,5-trimethoxyphenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.18008 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18736 186.3
[M+Na]+ 380.16930 195.7
[M-H]- 356.17280 189.5
[M+NH4]+ 375.21390 196.9
[M+K]+ 396.14324 190.8
[M+H-H2O]+ 340.17734 176.8
[M+HCOO]- 402.17828 206.0
[M+CH3COO]- 416.19393 220.6
[M+Na-2H]- 378.15475 187.0
[M]+ 357.17953 190.2
[M]- 357.18063 190.2
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.