CID 509557

Chembl571909

Structural Information

Molecular Formula
C26H23N5O
SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)CCNC4=NC=NC5=C4C=C(C=C5)N
InChI
InChI=1S/C26H23N5O/c27-20-8-12-25-23(15-20)26(30-17-29-25)28-14-13-18-5-10-22(11-6-18)32-16-21-9-7-19-3-1-2-4-24(19)31-21/h1-12,15,17H,13-14,16,27H2,(H,28,29,30)
InChIKey
HBKIRMWYGZMQAH-UHFFFAOYSA-N
Compound name
4-N-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

421.19025 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.19753 201.8
[M+Na]+ 444.17947 209.4
[M-H]- 420.18297 208.4
[M+NH4]+ 439.22407 208.0
[M+K]+ 460.15341 200.2
[M+H-H2O]+ 404.18751 187.9
[M+HCOO]- 466.18845 220.9
[M+CH3COO]- 480.20410 209.4
[M+Na-2H]- 442.16492 210.8
[M]+ 421.18970 202.6
[M]- 421.19080 202.6
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