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]+ 360.207046 191.6
[M+Na]+ 382.188988 203.1
[M-H]- 358.192494 199.5
[M+NH4]+ 377.233593 204.9
[M+K]+ 398.162928 195.9
[M+H-H2O]+ 342.197030 180.5
[M+HCOO]- 404.197971 210.7
[M+CH3COO]- 418.213621 202.4
[M+Na-2H]- 380.174436 194.6
[M]+ 359.19922142 194.6
[M]- 359.20031858 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.