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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.