CID 3065590

108445-76-7

Structural Information

Molecular Formula
C23H25N3O4
SMILES
CC1CN2C(=CC(=NC3=CC=C(C=C3)OC)N(C2=O)C)C4=CC(=C(C=C14)OC)OC
InChI
InChI=1S/C23H25N3O4/c1-14-13-26-19(18-11-21(30-5)20(29-4)10-17(14)18)12-22(25(2)23(26)27)24-15-6-8-16(28-3)9-7-15/h6-12,14H,13H2,1-5H3
InChIKey
ZVPHNQYSKIGVJU-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-2-(4-methoxyphenyl)imino-3,7-dimethyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

407.1845 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.191776 200.7
[M+Na]+ 430.173718 211.3
[M-H]- 406.177224 208.5
[M+NH4]+ 425.218323 211.6
[M+K]+ 446.147658 206.5
[M+H-H2O]+ 390.181760 188.8
[M+HCOO]- 452.182701 220.1
[M+CH3COO]- 466.198351 233.6
[M+Na-2H]- 428.159166 204.0
[M]+ 407.18395142 207.8
[M]- 407.18504858 207.8
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