CID 5273889

Schembl14430911

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCCCCCCCCCC1=CC2=CN=C(N=C2O1)OCC3=CC=C(C=C3)C
InChI
InChI=1S/C24H32N2O2/c1-3-4-5-6-7-8-9-10-11-22-16-21-17-25-24(26-23(21)28-22)27-18-20-14-12-19(2)13-15-20/h12-17H,3-11,18H2,1-2H3
InChIKey
VPAQDEYFRSOQPD-UHFFFAOYSA-N
Compound name
6-decyl-2-[(4-methylphenyl)methoxy]furo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

380.24637 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 198.1
[M+Na]+ 403.23559 205.3
[M-H]- 379.23909 203.0
[M+NH4]+ 398.28019 209.0
[M+K]+ 419.20953 200.0
[M+H-H2O]+ 363.24363 187.6
[M+HCOO]- 425.24457 217.7
[M+CH3COO]- 439.26022 221.6
[M+Na-2H]- 401.22104 200.1
[M]+ 380.24582 206.9
[M]- 380.24692 206.9
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