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]+ 261.13460 161.4
[M+Na]+ 283.11654 169.2
[M-H]- 259.12004 161.7
[M+NH4]+ 278.16114 172.6
[M+K]+ 299.09048 163.9
[M+H-H2O]+ 243.12458 150.7
[M+HCOO]- 305.12552 175.0
[M+CH3COO]- 319.14117 170.8
[M+Na-2H]- 281.10199 167.2
[M]+ 260.12677 157.9
[M]- 260.12787 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.