CID 3065588

108445-75-6

Structural Information

Molecular Formula

C₂₄H₂₇N₃O₃

SMILES

CC1CN2C(=CC(=NC3=C(C=CC=C3C)C)N(C2=O)C)C4=CC(=C(C=C14)OC)OC

InChI

InChI=1S/C24H27N3O3/c1-14-8-7-9-15(2)23(14)25-22-12-19-18-11-21(30-6)20(29-5)10-17(18)16(3)13-27(19)24(28)26(22)4/h7-12,16H,13H2,1-6H3

InChIKey

CRHYBIDFFKUMFS-UHFFFAOYSA-N

Compound name

2-(2,6-dimethylphenyl)imino-9,10-dimethoxy-3,7-dimethyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 405.20523 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	406.212506	203.0
[M+Na]+	428.194448	214.3
[M-H]-	404.197954	211.0
[M+NH4]+	423.239053	214.4
[M+K]+	444.168388	208.6
[M+H-H2O]+	388.202490	191.4
[M+HCOO]-	450.203431	221.9
[M+CH3COO]-	464.219081	235.6
[M+Na-2H]-	426.179896	204.9
[M]+	405.20468142	209.4
[M]-	405.20577858	209.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe