CID 164420

139369-73-6

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CC1=COC2=NC=NC(=C12)NCCC3=CC=C(C=C3)OC
InChI
InChI=1S/C16H17N3O2/c1-11-9-21-16-14(11)15(18-10-19-16)17-8-7-12-3-5-13(20-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKey
FWCJOVJIXYJANQ-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenyl)ethyl]-5-methylfuro[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.13208 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 164.6
[M+Na]+ 306.12130 174.6
[M-H]- 282.12480 171.1
[M+NH4]+ 301.16590 179.3
[M+K]+ 322.09524 171.1
[M+H-H2O]+ 266.12934 155.5
[M+HCOO]- 328.13028 188.1
[M+CH3COO]- 342.14593 177.2
[M+Na-2H]- 304.10675 171.7
[M]+ 283.13153 170.3
[M]- 283.13263 170.3
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

patents stripe