CID 3065594

108445-78-9

Structural Information

Molecular Formula
C24H27N3O5
SMILES
CC1CN2C(=CC(=NC3=CC(=CC(=C3)OC)OC)N(C2=O)C)C4=CC(=C(C=C14)OC)OC
InChI
InChI=1S/C24H27N3O5/c1-14-13-27-20(19-11-22(32-6)21(31-5)10-18(14)19)12-23(26(2)24(27)28)25-15-7-16(29-3)9-17(8-15)30-4/h7-12,14H,13H2,1-6H3
InChIKey
SIZKMOMFVSYOLC-UHFFFAOYSA-N
Compound name
2-(3,5-dimethoxyphenyl)imino-9,10-dimethoxy-3,7-dimethyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

437.19507 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.20235 207.5
[M+Na]+ 460.18429 224.0
[M+NH4]+ 455.22889 213.6
[M+K]+ 476.15823 215.7
[M-H]- 436.18779 212.2
[M+Na-2H]- 458.16974 213.0
[M]+ 437.19452 211.3
[M]- 437.19562 211.3
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