CID 509556

Chembl567456

Structural Information

Molecular Formula
C22H21N5O
SMILES
C1=CC=NC(=C1)COC2=CC=C(C=C2)CCNC3=NC=NC4=C3C=C(C=C4)N
InChI
InChI=1S/C22H21N5O/c23-17-6-9-21-20(13-17)22(27-15-26-21)25-12-10-16-4-7-19(8-5-16)28-14-18-3-1-2-11-24-18/h1-9,11,13,15H,10,12,14,23H2,(H,25,26,27)
InChIKey
DTUFTDPBRNAGSL-UHFFFAOYSA-N
Compound name
4-N-[2-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

371.17462 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18190 188.6
[M+Na]+ 394.16384 195.1
[M-H]- 370.16734 194.2
[M+NH4]+ 389.20844 196.0
[M+K]+ 410.13778 187.3
[M+H-H2O]+ 354.17188 175.7
[M+HCOO]- 416.17282 208.5
[M+CH3COO]- 430.18847 196.9
[M+Na-2H]- 392.14929 196.5
[M]+ 371.17407 187.9
[M]- 371.17517 187.9
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