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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.24382 211.6
[M+Na]+ 456.22576 222.1
[M-H]- 432.22926 221.1
[M+NH4]+ 451.27036 221.9
[M+K]+ 472.19970 221.8
[M+H-H2O]+ 416.23380 201.6
[M+HCOO]- 478.23474 229.6
[M+CH3COO]- 492.25039 240.8
[M+Na-2H]- 454.21121 211.5
[M]+ 433.23599 216.1
[M]- 433.23709 216.1
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