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]+ 420.22818 207.0
[M+Na]+ 442.21012 217.2
[M-H]- 418.21362 216.3
[M+NH4]+ 437.25472 217.6
[M+K]+ 458.18406 216.8
[M+H-H2O]+ 402.21816 196.9
[M+HCOO]- 464.21910 225.4
[M+CH3COO]- 478.23475 216.7
[M+Na-2H]- 440.19557 208.1
[M]+ 419.22035 210.7
[M]- 419.22145 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