CID 3065630

108446-07-7

Structural Information

Molecular Formula

C₂₆H₃₁N₃O₃

SMILES

CC1CCN2C(=CC(=NC3=C(C=C(C=C3C)C)C)N(C2=O)C)C4=CC(=C(C=C14)OC)OC

InChI

InChI=1S/C26H31N3O3/c1-15-10-17(3)25(18(4)11-15)27-24-14-21-20-13-23(32-7)22(31-6)12-19(20)16(2)8-9-29(21)26(30)28(24)5/h10-14,16H,8-9H2,1-7H3

InChIKey

WEHCCBCGWIAVTI-UHFFFAOYSA-N

Compound name

10,11-dimethoxy-3,8-dimethyl-2-(2,4,6-trimethylphenyl)imino-7,8-dihydro-6H-pyrimido[6,1-a][2]benzazepin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 433.23654 Da
Monoisotopic Mass: 4.6
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]+	434.243816	211.6
[M+Na]+	456.225758	222.1
[M-H]-	432.229264	221.1
[M+NH4]+	451.270363	221.9
[M+K]+	472.199698	221.8
[M+H-H2O]+	416.233800	201.6
[M+HCOO]-	478.234741	229.6
[M+CH3COO]-	492.250391	240.8
[M+Na-2H]-	454.211206	211.5
[M]+	433.23599142	216.1
[M]-	433.23708858	216.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe