CID 135400065

33080-88-5

Structural Information

Molecular Formula
C14H17N5O
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=CC(=O)N3)N
InChI
InChI=1S/C14H17N5O/c15-12-10-13(20)17-14(16-12)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H3,15,16,17,20)
InChIKey
MFHXSBFTMINXEB-UHFFFAOYSA-N
Compound name
4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

271.1433 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15058 165.3
[M+Na]+ 294.13252 172.0
[M-H]- 270.13602 167.5
[M+NH4]+ 289.17712 174.2
[M+K]+ 310.10646 165.3
[M+H-H2O]+ 254.14056 153.9
[M+HCOO]- 316.14150 180.4
[M+CH3COO]- 330.15715 174.0
[M+Na-2H]- 292.11797 169.7
[M]+ 271.14275 157.9
[M]- 271.14385 157.9
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

No patent data available for this compound.