CID 23727982

Meriolin 5

Structural Information

Molecular Formula
C14H15N5O
SMILES
CCCOC1=C2C(=CNC2=NC=C1)C3=NC(=NC=C3)N
InChI
InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)
InChIKey
ZHMRPXZRUZLCNL-UHFFFAOYSA-N
Compound name
4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

269.12766 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.134936 161.4
[M+Na]+ 292.116878 171.8
[M-H]- 268.120384 163.0
[M+NH4]+ 287.161483 174.2
[M+K]+ 308.090818 165.5
[M+H-H2O]+ 252.124920 151.5
[M+HCOO]- 314.125861 181.5
[M+CH3COO]- 328.141511 172.4
[M+Na-2H]- 290.102326 167.7
[M]+ 269.12711142 162.6
[M]- 269.12820858 162.6
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