CID 135570461

Brn 0805530

Structural Information

Molecular Formula
C13H15ClN4O
SMILES
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2
InChI
InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13-15-11-8-9(14)2-3-10(11)12(19)16-13/h2-3,8H,4-7H2,1H3,(H,15,16,19)
InChIKey
CZIMZLNGIWPHKA-UHFFFAOYSA-N
Compound name
7-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.09344 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.100716 164.2
[M+Na]+ 301.082658 173.7
[M-H]- 277.086164 164.5
[M+NH4]+ 296.127263 175.9
[M+K]+ 317.056598 166.5
[M+H-H2O]+ 261.090700 154.1
[M+HCOO]- 323.091641 172.8
[M+CH3COO]- 337.107291 173.7
[M+Na-2H]- 299.068106 168.6
[M]+ 278.09289142 161.7
[M]- 278.09398858 161.7
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.