CID 11957393

7-pyridin-2-yl-n-(3,4,5-trimethoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine

Structural Information

Molecular Formula
C20H19N5O3
SMILES
COC1=CC(=CC(=C1OC)OC)NC2=NC=C3C=CN(C3=N2)C4=CC=CC=N4
InChI
InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24)
InChIKey
YENZSPIOXMNEFF-UHFFFAOYSA-N
Compound name
7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

23
Patents

377.1488 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.15608 189.3
[M+Na]+ 400.13802 199.7
[M-H]- 376.14152 196.1
[M+NH4]+ 395.18262 198.1
[M+K]+ 416.11196 193.9
[M+H-H2O]+ 360.14606 177.1
[M+HCOO]- 422.14700 210.6
[M+CH3COO]- 436.16265 199.5
[M+Na-2H]- 398.12347 194.6
[M]+ 377.14825 195.8
[M]- 377.14935 195.8
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

patents stripe