CID 3065592

108445-77-8

Structural Information

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

0
Patents

437.19507 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.202346 208.4
[M+Na]+ 460.184288 219.0
[M-H]- 436.187794 216.3
[M+NH4]+ 455.228893 218.1
[M+K]+ 476.158228 215.0
[M+H-H2O]+ 420.192330 196.3
[M+HCOO]- 482.193271 227.4
[M+CH3COO]- 496.208921 240.1
[M+Na-2H]- 458.169736 210.7
[M]+ 437.19452142 217.6
[M]- 437.19561858 217.6
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.