CID 53992591

90677-64-8

Structural Information

Molecular Formula
C51H50N6O2
SMILES
CCN(CC)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=C(C=C4)C(C)(C)C5=CC=C(C=C5)OC6=NC(=NC7=CC=CC=C76)C8=CC=C(C=C8)N(CC)CC
InChI
InChI=1S/C51H50N6O2/c1-7-56(8-2)39-27-19-35(20-28-39)47-52-45-17-13-11-15-43(45)49(54-47)58-41-31-23-37(24-32-41)51(5,6)38-25-33-42(34-26-38)59-50-44-16-12-14-18-46(44)53-48(55-50)36-21-29-40(30-22-36)57(9-3)10-4/h11-34H,7-10H2,1-6H3
InChIKey
VSUQVGHHCROQNF-UHFFFAOYSA-N
Compound name
4-[4-[4-[2-[4-[2-[4-(diethylamino)phenyl]quinazolin-4-yl]oxyphenyl]propan-2-yl]phenoxy]quinazolin-2-yl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

71
Patents

778.39954 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.40682 299.3
[M+Na]+ 801.38876 320.2
[M+NH4]+ 796.43336 304.5
[M+K]+ 817.36270 306.1
[M-H]- 777.39226 313.6
[M+Na-2H]- 799.37421 313.3
[M]+ 778.39899 307.1
[M]- 778.40009 307.1
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