CID 401320

Chembl173975

Structural Information

Molecular Formula
C24H24N4O
SMILES
C1CNC(=NC1)C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C5=NCCCN5
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/h3-12H,1-2,13-16H2,(H,25,26)(H,27,28)
InChIKey
DPZHKMWQVLEILB-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]furan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

384.195 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20228 192.8
[M+Na]+ 407.18422 196.5
[M-H]- 383.18772 199.9
[M+NH4]+ 402.22882 196.1
[M+K]+ 423.15816 188.2
[M+H-H2O]+ 367.19226 179.1
[M+HCOO]- 429.19320 203.1
[M+CH3COO]- 443.20885 198.8
[M+Na-2H]- 405.16967 192.5
[M]+ 384.19445 183.8
[M]- 384.19555 183.8
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