CID 63264

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

Structural Information

Molecular Formula
C16H22N4O
SMILES
CC(C)N1CCN(CC1)CN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H22N4O/c1-13(2)19-9-7-18(8-10-19)12-20-11-17-15-6-4-3-5-14(15)16(20)21/h3-6,11,13H,7-10,12H2,1-2H3
InChIKey
JEGQOGNZZOJTOV-UHFFFAOYSA-N
Compound name
3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.17935 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.186626 171.1
[M+Na]+ 309.168568 177.8
[M-H]- 285.172074 172.3
[M+NH4]+ 304.213173 181.9
[M+K]+ 325.142508 172.6
[M+H-H2O]+ 269.176610 159.8
[M+HCOO]- 331.177551 183.9
[M+CH3COO]- 345.193201 179.9
[M+Na-2H]- 307.154016 174.6
[M]+ 286.17880142 168.4
[M]- 286.17989858 168.4
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.