CID 3065596

108445-79-0

Structural Information

Molecular Formula
C25H29N3O6
SMILES
CC1CN2C(=CC(=NC3=CC(=C(C(=C3)OC)OC)OC)N(C2=O)C)C4=CC(=C(C=C14)OC)OC
InChI
InChI=1S/C25H29N3O6/c1-14-13-28-18(17-11-20(31-4)19(30-3)10-16(14)17)12-23(27(2)25(28)29)26-15-8-21(32-5)24(34-7)22(9-15)33-6/h8-12,14H,13H2,1-7H3
InChIKey
HYXKTCIWUKHUBS-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-3,7-dimethyl-2-(3,4,5-trimethoxyphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

467.20563 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.21291 215.9
[M+Na]+ 490.19485 226.4
[M-H]- 466.19835 223.9
[M+NH4]+ 485.23945 224.4
[M+K]+ 506.16879 223.2
[M+H-H2O]+ 450.20289 203.6
[M+HCOO]- 512.20383 234.5
[M+CH3COO]- 526.21948 246.6
[M+Na-2H]- 488.18030 217.1
[M]+ 467.20508 227.1
[M]- 467.20618 227.1
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