CID 509554

Evp4593

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

217
Patents

356.1637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.170976 184.4
[M+Na]+ 379.152918 191.0
[M-H]- 355.156424 191.4
[M+NH4]+ 374.197523 193.8
[M+K]+ 395.126858 183.5
[M+H-H2O]+ 339.160960 172.3
[M+HCOO]- 401.161901 205.7
[M+CH3COO]- 415.177551 193.5
[M+Na-2H]- 377.138366 192.1
[M]+ 356.16315142 183.3
[M]- 356.16424858 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