CID 146868

Fk-664

Structural Information

Molecular Formula
C24H29N3O3
SMILES
CCN1C(=CC(=NC2=C(C=C(C=C2C)C)C)N(C1=O)C)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C24H29N3O3/c1-8-27-19(18-9-10-20(29-6)21(13-18)30-7)14-22(26(5)24(27)28)25-23-16(3)11-15(2)12-17(23)4/h9-14H,8H2,1-7H3
InChIKey
OYGHXRNCHYRYRR-UHFFFAOYSA-N
Compound name
6-(3,4-dimethoxyphenyl)-1-ethyl-3-methyl-4-(2,4,6-trimethylphenyl)iminopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

15
Patents

407.2209 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22818 202.7
[M+Na]+ 430.21012 214.1
[M-H]- 406.21362 212.7
[M+NH4]+ 425.25472 212.3
[M+K]+ 446.18406 208.7
[M+H-H2O]+ 390.21816 191.0
[M+HCOO]- 452.21910 225.3
[M+CH3COO]- 466.23475 235.6
[M+Na-2H]- 428.19557 202.1
[M]+ 407.22035 210.8
[M]- 407.22145 210.8
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