CID 21717193

4-(4-chloroquinazolin-6-yl)morpholine

Structural Information

Molecular Formula
C12H12ClN3O
SMILES
C1COCCN1C2=CC3=C(C=C2)N=CN=C3Cl
InChI
InChI=1S/C12H12ClN3O/c13-12-10-7-9(16-3-5-17-6-4-16)1-2-11(10)14-8-15-12/h1-2,7-8H,3-6H2
InChIKey
ATRZVHJSCCURLJ-UHFFFAOYSA-N
Compound name
4-(4-chloroquinazolin-6-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

249.0669 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07418 154.0
[M+Na]+ 272.05612 162.5
[M-H]- 248.05962 157.1
[M+NH4]+ 267.10072 167.2
[M+K]+ 288.03006 158.2
[M+H-H2O]+ 232.06416 144.1
[M+HCOO]- 294.06510 164.9
[M+CH3COO]- 308.08075 164.9
[M+Na-2H]- 270.04157 161.5
[M]+ 249.06635 153.0
[M]- 249.06745 153.0
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

patents stripe