CID 64033

4(3h)-quinazolinone, 3-(4-hydroxy-1-piperazinylmethyl)-, dihydrochloride

Structural Information

Molecular Formula
C13H16N4O2
SMILES
C1CN(CCN1CN2C=NC3=CC=CC=C3C2=O)O
InChI
InChI=1S/C13H16N4O2/c18-13-11-3-1-2-4-12(11)14-9-16(13)10-15-5-7-17(19)8-6-15/h1-4,9,19H,5-8,10H2
InChIKey
HNFQOOYHILAYSU-UHFFFAOYSA-N
Compound name
3-[(4-hydroxypiperazin-1-yl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.134596 161.4
[M+Na]+ 283.116538 169.2
[M-H]- 259.120044 161.7
[M+NH4]+ 278.161143 172.6
[M+K]+ 299.090478 163.9
[M+H-H2O]+ 243.124580 150.7
[M+HCOO]- 305.125521 175.0
[M+CH3COO]- 319.141171 170.8
[M+Na-2H]- 281.101986 167.2
[M]+ 260.12677142 157.9
[M]- 260.12786858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.