CID 2059510

Ak-in-1

Structural Information

Molecular Formula
C22H21N3O4
SMILES
COC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCO)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)
InChIKey
ARBUGBBNEFAECO-UHFFFAOYSA-N
Compound name
2-[[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

391.1532 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16048 195.0
[M+Na]+ 414.14242 211.1
[M+NH4]+ 409.18702 201.5
[M+K]+ 430.11636 205.2
[M-H]- 390.14592 202.0
[M+Na-2H]- 412.12787 203.4
[M]+ 391.15265 199.4
[M]- 391.15375 199.4
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