CID 1858533

4-(1-piperazinyl)quinazoline dihydrochloride dihydrate

Structural Information

Molecular Formula
C12H14N4
SMILES
C1CN(CCN1)C2=NC=NC3=CC=CC=C32
InChI
InChI=1S/C12H14N4/c1-2-4-11-10(3-1)12(15-9-14-11)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2
InChIKey
KLTHGJYCURVMAK-UHFFFAOYSA-N
Compound name
4-piperazin-1-ylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

261
Patents

214.12184 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.129116 149.8
[M+Na]+ 237.111058 156.2
[M-H]- 213.114564 149.5
[M+NH4]+ 232.155663 162.5
[M+K]+ 253.084998 150.6
[M+H-H2O]+ 197.119100 139.2
[M+HCOO]- 259.120041 163.3
[M+CH3COO]- 273.135691 159.3
[M+Na-2H]- 235.096506 157.8
[M]+ 214.12129142 143.1
[M]- 214.12238858 143.1
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