CID 509554

545380-34-5

Structural Information

Molecular Formula
C22H20N4O
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CCNC3=NC=NC4=C3C=C(C=C4)N
InChI
InChI=1S/C22H20N4O/c23-17-8-11-21-20(14-17)22(26-15-25-21)24-13-12-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,14-15H,12-13,23H2,(H,24,25,26)
InChIKey
IBAKVEUZKHOWNG-UHFFFAOYSA-N
Compound name
4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

45
References

268
Patents

356.1637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 184.4
[M+Na]+ 379.15292 191.0
[M-H]- 355.15642 191.4
[M+NH4]+ 374.19752 193.8
[M+K]+ 395.12686 183.5
[M+H-H2O]+ 339.16096 172.3
[M+HCOO]- 401.16190 205.7
[M+CH3COO]- 415.17755 193.5
[M+Na-2H]- 377.13837 192.1
[M]+ 356.16315 183.3
[M]- 356.16425 183.3
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