CID 72706837

Pf-06454589

Structural Information

Molecular Formula
C14H16N6O
SMILES
CN1C=C(C=N1)C2=CNC3=C2C(=NC=N3)N4CCOCC4
InChI
InChI=1S/C14H16N6O/c1-19-8-10(6-18-19)11-7-15-13-12(11)14(17-9-16-13)20-2-4-21-5-3-20/h6-9H,2-5H2,1H3,(H,15,16,17)
InChIKey
VNWKCLDQBNSJJO-UHFFFAOYSA-N
Compound name
4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

26
Patents

284.13855 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14583 165.6
[M+Na]+ 307.12777 175.1
[M-H]- 283.13127 168.4
[M+NH4]+ 302.17237 175.4
[M+K]+ 323.10171 170.1
[M+H-H2O]+ 267.13581 154.3
[M+HCOO]- 329.13675 179.3
[M+CH3COO]- 343.15240 175.4
[M+Na-2H]- 305.11322 167.3
[M]+ 284.13800 164.1
[M]- 284.13910 164.1
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

patents stripe