CID 24845146

94564-63-3

Structural Information

Molecular Formula
C23H25N3O
SMILES
CC1CN2C(=CC(=NC3=CC=CC=C3C)N(C2=O)C)C4=C1C=C(C(=C4)C)C
InChI
InChI=1S/C23H25N3O/c1-14-8-6-7-9-20(14)24-22-12-21-19-11-16(3)15(2)10-18(19)17(4)13-26(21)23(27)25(22)5/h6-12,17H,13H2,1-5H3
InChIKey
ZJSRIGYWNKKWQD-UHFFFAOYSA-N
Compound name
3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.19977 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20705 191.6
[M+Na]+ 382.18899 203.1
[M-H]- 358.19249 199.5
[M+NH4]+ 377.23359 204.9
[M+K]+ 398.16293 195.9
[M+H-H2O]+ 342.19703 180.5
[M+HCOO]- 404.19797 210.7
[M+CH3COO]- 418.21362 202.4
[M+Na-2H]- 380.17444 194.6
[M]+ 359.19922 194.6
[M]- 359.20032 194.6
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.