CID 63879

4(3h)-quinazolinone, 3-((((4-methyl-1-piperazinyl)methyl)amino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C15H21N5O
SMILES
CN1CCN(CC1)CNCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H21N5O/c1-18-6-8-19(9-7-18)10-16-11-20-12-17-14-5-3-2-4-13(14)15(20)21/h2-5,12,16H,6-11H2,1H3
InChIKey
KNVLANHYRKGDIY-UHFFFAOYSA-N
Compound name
3-[[(4-methylpiperazin-1-yl)methylamino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.17462 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18190 169.8
[M+Na]+ 310.16384 176.5
[M-H]- 286.16734 171.1
[M+NH4]+ 305.20844 180.4
[M+K]+ 326.13778 170.9
[M+H-H2O]+ 270.17188 158.4
[M+HCOO]- 332.17282 185.1
[M+CH3COO]- 346.18847 178.7
[M+Na-2H]- 308.14929 175.7
[M]+ 287.17407 166.8
[M]- 287.17517 166.8
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.