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]+ 358.187356 186.3
[M+Na]+ 380.169298 195.7
[M-H]- 356.172804 189.5
[M+NH4]+ 375.213903 196.9
[M+K]+ 396.143238 190.8
[M+H-H2O]+ 340.177340 176.8
[M+HCOO]- 402.178281 206.0
[M+CH3COO]- 416.193931 220.6
[M+Na-2H]- 378.154746 187.0
[M]+ 357.17953142 190.2
[M]- 357.18062858 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.