CID 15956171

Schembl4889795

Structural Information

Molecular Formula
C23H22N6O2
SMILES
COC1=NC=C(C=N1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C23H22N6O2/c1-30-23-24-13-17(14-25-23)16-2-7-21-20(12-16)22(27-15-26-21)28-18-3-5-19(6-4-18)29-8-10-31-11-9-29/h2-7,12-15H,8-11H2,1H3,(H,26,27,28)
InChIKey
PIFLPXKWYAFROK-UHFFFAOYSA-N
Compound name
6-(2-methoxypyrimidin-5-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

414.18042 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18770 202.5
[M+Na]+ 437.16964 208.4
[M-H]- 413.17314 208.7
[M+NH4]+ 432.21424 203.6
[M+K]+ 453.14358 201.3
[M+H-H2O]+ 397.17768 186.6
[M+HCOO]- 459.17862 214.4
[M+CH3COO]- 473.19427 208.5
[M+Na-2H]- 435.15509 208.3
[M]+ 414.17987 199.6
[M]- 414.18097 199.6
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