CID 52939114

Nb2h3pd83x

Structural Information

Molecular Formula
C17H17N5O
SMILES
CC(C)N1C(=O)C=CC(=N1)C2=CN=C(N=C2C3=CC=CC=C3)N
InChI
InChI=1S/C17H17N5O/c1-11(2)22-15(23)9-8-14(21-22)13-10-19-17(18)20-16(13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,18,19,20)
InChIKey
QECZSUGQZHURLI-UHFFFAOYSA-N
Compound name
6-(2-amino-4-phenylpyrimidin-5-yl)-2-propan-2-ylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

307.1433 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15058 172.8
[M+Na]+ 330.13252 189.2
[M+NH4]+ 325.17712 179.1
[M+K]+ 346.10646 182.1
[M-H]- 306.13602 177.7
[M+Na-2H]- 328.11797 183.3
[M]+ 307.14275 176.5
[M]- 307.14385 176.5
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