CID 3065628

108446-06-6

Structural Information

Molecular Formula
C25H29N3O3
SMILES
CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCCN3C(=O)N2C)OC)OC)C
InChI
InChI=1S/C25H29N3O3/c1-15-10-16(2)24(17(3)11-15)26-23-14-20-19-13-22(31-6)21(30-5)12-18(19)8-7-9-28(20)25(29)27(23)4/h10-14H,7-9H2,1-6H3
InChIKey
DWPHXMQJJBLATM-UHFFFAOYSA-N
Compound name
10,11-dimethoxy-3-methyl-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

2
Patents

419.2209 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.228176 207.0
[M+Na]+ 442.210118 217.2
[M-H]- 418.213624 216.3
[M+NH4]+ 437.254723 217.6
[M+K]+ 458.184058 216.8
[M+H-H2O]+ 402.218160 196.9
[M+HCOO]- 464.219101 225.4
[M+CH3COO]- 478.234751 216.7
[M+Na-2H]- 440.195566 208.1
[M]+ 419.22035142 210.7
[M]- 419.22144858 210.7
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