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]+ 279.10072 164.2
[M+Na]+ 301.08266 173.7
[M-H]- 277.08616 164.5
[M+NH4]+ 296.12726 175.9
[M+K]+ 317.05660 166.5
[M+H-H2O]+ 261.09070 154.1
[M+HCOO]- 323.09164 172.8
[M+CH3COO]- 337.10729 173.7
[M+Na-2H]- 299.06811 168.6
[M]+ 278.09289 161.7
[M]- 278.09399 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.