CID 3065635

108446-18-0

Structural Information

Molecular Formula
C26H31N3O3
SMILES
CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4C(CN3C(=O)N2C)(C)C)OC)OC)C
InChI
InChI=1S/C26H31N3O3/c1-15-9-16(2)24(17(3)10-15)27-23-13-20-18-11-21(31-7)22(32-8)12-19(18)26(4,5)14-29(20)25(30)28(23)6/h9-13H,14H2,1-8H3
InChIKey
OJTPNRQOKSMXOT-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-3,7,7-trimethyl-2-(2,4,6-trimethylphenyl)imino-6H-pyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

433.23654 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.243816 209.9
[M+Na]+ 456.225758 222.3
[M-H]- 432.229264 218.2
[M+NH4]+ 451.270363 222.5
[M+K]+ 472.199698 216.7
[M+H-H2O]+ 416.233800 198.4
[M+HCOO]- 478.234741 228.0
[M+CH3COO]- 492.250391 242.2
[M+Na-2H]- 454.211206 211.4
[M]+ 433.23599142 217.8
[M]- 433.23708858 217.8
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