CID 508454

Pyrimidine, 2,2'-[2,5-furandiylbis(4,1-phenylene)]bis[1,2,3,4-tetrahydro-

Structural Information

Molecular Formula
C24H24N4O
SMILES
C1C=CNC(N1)C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C5NCC=CN5
InChI
InChI=1S/C24H24N4O/c1-13-25-23(26-14-1)19-7-3-17(4-8-19)21-11-12-22(29-21)18-5-9-20(10-6-18)24-27-15-2-16-28-24/h1-13,15,23-28H,14,16H2
InChIKey
XUIYUJOEOONBGV-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]furan-2-yl]phenyl]-1,2,3,4-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.195 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20228 191.4
[M+Na]+ 407.18422 194.4
[M-H]- 383.18772 196.1
[M+NH4]+ 402.22882 193.5
[M+K]+ 423.15816 184.7
[M+H-H2O]+ 367.19226 178.7
[M+HCOO]- 429.19320 199.0
[M+CH3COO]- 443.20885 196.4
[M+Na-2H]- 405.16967 190.7
[M]+ 384.19445 179.3
[M]- 384.19555 179.3
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

No patent data available for this compound.