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]+ 287.18663 171.1
[M+Na]+ 309.16857 177.8
[M-H]- 285.17207 172.3
[M+NH4]+ 304.21317 181.9
[M+K]+ 325.14251 172.6
[M+H-H2O]+ 269.17661 159.8
[M+HCOO]- 331.17755 183.9
[M+CH3COO]- 345.19320 179.9
[M+Na-2H]- 307.15402 174.6
[M]+ 286.17880 168.4
[M]- 286.17990 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.