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

7
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]+ 272.150576 165.3
[M+Na]+ 294.132518 172.0
[M-H]- 270.136024 167.5
[M+NH4]+ 289.177123 174.2
[M+K]+ 310.106458 165.3
[M+H-H2O]+ 254.140560 153.9
[M+HCOO]- 316.141501 180.4
[M+CH3COO]- 330.157151 174.0
[M+Na-2H]- 292.117966 169.7
[M]+ 271.14275142 157.9
[M]- 271.14384858 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.