CID 25229608

1198357-79-7

Structural Information

Molecular Formula
C16H17N5O2
SMILES
CN1C2=C(C=N1)C(=NC(=N2)C3=CC(=CC=C3)O)N4CCOCC4
InChI
InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
InChIKey
BJVRNXSHJLDZJR-UHFFFAOYSA-N
Compound name
3-(1-methyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

138
Patents

311.1382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14548 173.2
[M+Na]+ 334.12742 189.0
[M+NH4]+ 329.17202 179.6
[M+K]+ 350.10136 184.4
[M-H]- 310.13092 177.8
[M+Na-2H]- 332.11287 180.6
[M]+ 311.13765 176.7
[M]- 311.13875 176.7
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