CID 15956198

Schembl4891690

Structural Information

Molecular Formula
C31H28N4O2
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=CC=C5OCC6=CC=CC=C6
InChI
InChI=1S/C31H28N4O2/c1-2-6-23(7-3-1)21-37-30-9-5-4-8-27(30)24-10-15-29-28(20-24)31(33-22-32-29)34-25-11-13-26(14-12-25)35-16-18-36-19-17-35/h1-15,20,22H,16-19,21H2,(H,32,33,34)
InChIKey
KPKSIQIUMNWWAH-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylphenyl)-6-(2-phenylmethoxyphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

488.22122 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.22850 220.2
[M+Na]+ 511.21044 223.4
[M-H]- 487.21394 230.7
[M+NH4]+ 506.25504 220.0
[M+K]+ 527.18438 215.6
[M+H-H2O]+ 471.21848 203.2
[M+HCOO]- 533.21942 232.9
[M+CH3COO]- 547.23507 225.0
[M+Na-2H]- 509.19589 224.0
[M]+ 488.22067 215.8
[M]- 488.22177 215.8
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