CID 720652

4-(6-bromoquinazolin-4-yl)morpholine

Structural Information

Molecular Formula
C12H12BrN3O
SMILES
C1COCCN1C2=NC=NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C12H12BrN3O/c13-9-1-2-11-10(7-9)12(15-8-14-11)16-3-5-17-6-4-16/h1-2,7-8H,3-6H2
InChIKey
HQJHKFWXUFPBHU-UHFFFAOYSA-N
Compound name
4-(6-bromoquinazolin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

293.01636 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.023636 157.5
[M+Na]+ 316.005578 167.8
[M-H]- 292.009084 163.5
[M+NH4]+ 311.050183 172.1
[M+K]+ 331.979518 157.5
[M+H-H2O]+ 276.013620 154.9
[M+HCOO]- 338.014561 171.3
[M+CH3COO]- 352.030211 170.0
[M+Na-2H]- 313.991026 166.4
[M]+ 293.01581142 173.5
[M]- 293.01690858 173.5
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