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

3
Patents

407.1845 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19178 200.7
[M+Na]+ 430.17372 211.3
[M-H]- 406.17722 208.5
[M+NH4]+ 425.21832 211.6
[M+K]+ 446.14766 206.5
[M+H-H2O]+ 390.18176 188.8
[M+HCOO]- 452.18270 220.1
[M+CH3COO]- 466.19835 233.6
[M+Na-2H]- 428.15917 204.0
[M]+ 407.18395 207.8
[M]- 407.18505 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