CID 720655

6-bromo-4-(4-methylpiperazin-1-yl)quinazoline

Structural Information

Molecular Formula
C13H15BrN4
SMILES
CN1CCN(CC1)C2=NC=NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C13H15BrN4/c1-17-4-6-18(7-5-17)13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7H2,1H3
InChIKey
RGRNAQFSIRFIOV-UHFFFAOYSA-N
Compound name
6-bromo-4-(4-methylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

25
Patents

306.048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.055276 162.7
[M+Na]+ 329.037218 173.5
[M-H]- 305.040724 167.0
[M+NH4]+ 324.081823 177.1
[M+K]+ 345.011158 161.1
[M+H-H2O]+ 289.045260 159.6
[M+HCOO]- 351.046201 175.6
[M+CH3COO]- 365.061851 174.5
[M+Na-2H]- 327.022666 170.0
[M]+ 306.04745142 177.9
[M]- 306.04854858 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe